C1CCC2=C(C1)C3=C(N2CCO)N=C(N=C3N4CCCC4)N5CCCC5
CAS: 157014-39-6
Name: 2-(2,4-dipyrrolidin-1-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-9-yl)ethanol
SMILES: C1CCC2=C(C1)C3=C(N2CCO)N=C(N=C3N4CCCC4)N5CCCC5

Molecular Processing

Molecular formula
C20H29N5O
Molecular weight
355.49
Exact mass
355.2372
XLogP
2.5
TPSA
57.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
104.15

Supplementary Information

InChIKey: SQCGVLUYMJYAKN-UHFFFAOYSA-N
Synonyme
157014-39-6SCHEMBL8961908DTXSID80573601SQCGVLUYMJYAKN-UHFFFAOYSA-N2-[2,4-Di(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-9H-pyrimido[4,5-b]indol-9-yl]ethan-1-ol9-(2-Hydroxyethyl)-2,4-di- 1-pyrrolidinyl-5,6,7,8-tetrahydro-9H-pyrimido[4,5-b]indole
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