CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCCN3CCCC3=O)C4=CC5=C(CCC5)C=C4
Nom: ethyl 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidine-6-carboxylate
SMILES: CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCCN3CCCC3=O)C4=CC5=C(CCC5)C=C4

Molecular Processing

Molecular formula
C26H29N5O4
Molecular weight
475.55
Exact mass
475.222
XLogP
2.87
TPSA
106.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
132.04

Supplementary Information

InChIKey: FOFNATOTARANDX-UHFFFAOYSA-N
Synonymes
SCHEMBL3291833FOFNATOTARANDX-UHFFFAOYSA-N8-Indan-5-yl-5-oxo-2-[3-(2-oxo-pyrrolidin-1-yl)-propylamino]-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→