CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCN3CCCCC3)C4=CC5=C(CCC5)C=C4
Name: ethyl 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILES: CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCN3CCCCC3)C4=CC5=C(CCC5)C=C4

Molecular Processing

Molecular formula
C26H31N5O3
Molecular weight
461.57
Exact mass
461.2427
XLogP
3.34
TPSA
89.35
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
131.9

Supplementary Information

InChIKey: UUBPRQBHIIEGEV-UHFFFAOYSA-N
Synonyme
SCHEMBL3293865UUBPRQBHIIEGEV-UHFFFAOYSA-N8-indan-5-yl-5-oxo-2-(2-piperidin-1-yl-ethylamino)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
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