1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide

C29H29N5O3 — CID 166753640

IUPAC1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCCn1ccc(NC(=O)c2cc3c(cc(C(O)(c4ccccc4)c4ccccc4)n3CC)nc2OC)n1
InChIInChI=1S/C29H29N5O3/c1-4-33-17-16-26(32-33)31-27(35)22-18-24-23(30-28(22)37-3)19-25(34(24)5-2)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyCGSFEKCPQMUCSR-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.82
Rot. Bonds8

About 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide

1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 166753640) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID166753640
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCCn1ccc(NC(=O)c2cc3c(cc(C(O)(c4ccccc4)c4ccccc4)n3CC)nc2OC)n1
InChIInChI=1S/C29H29N5O3/c1-4-33-17-16-26(32-33)31-27(35)22-18-24-23(30-28(22)37-3)19-25(34(24)5-2)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyCGSFEKCPQMUCSR-UHFFFAOYSA-N
XLogP4.82
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-(2-methylphenyl)-phenylmethyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 156855038
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 168678823
N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 168678827
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 156855014
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 168678854
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 168678804
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide (CID 166753640) is 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide is CCn1ccc(NC(=O)c2cc3c(cc(C(O)(c4ccccc4)c4ccccc4)n3CC)nc2OC)n1.
What is the InChIKey of 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is CGSFEKCPQMUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-4-33-17-16-26(32-33)31-27(35)22-18-24-23(30-28(22)37-3)19-25(34(24)5-2)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,32,35).
What are the key properties of 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 166753640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).