N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C25H25N5O2 — CID 127038319

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12
InChIInChI=1S/C25H25N5O2/c31-23-6-2-1-4-21(23)29-25(32)20-15-30(22-5-3-11-28-24(20)22)14-17-7-9-18(10-8-17)19-12-26-16-27-13-19/h3,5,7-13,15-16,21,23,31H,1-2,4,6,14H2,(H,29,32)/t21-,23-/m0/s1
InChIKeyFHNVPCGJXBZXLW-GMAHTHKFSA-N
MW427.51 g/mol
LogP3.57
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 127038319) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID127038319
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12
InChIInChI=1S/C25H25N5O2/c31-23-6-2-1-4-21(23)29-25(32)20-15-30(22-5-3-11-28-24(20)22)14-17-7-9-18(10-8-17)19-12-26-16-27-13-19/h3,5,7-13,15-16,21,23,31H,1-2,4,6,14H2,(H,29,32)/t21-,23-/m0/s1
InChIKeyFHNVPCGJXBZXLW-GMAHTHKFSA-N
XLogP3.57
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 127038319) is N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is FHNVPCGJXBZXLW-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-23-6-2-1-4-21(23)29-25(32)20-15-30(22-5-3-11-28-24(20)22)14-17-7-9-18(10-8-17)19-12-26-16-27-13-19/h3,5,7-13,15-16,21,23,31H,1-2,4,6,14H2,(H,29,32)/t21-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 127038319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).