6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H22N4O3 — CID 58051534

IUPAC6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(-n2c(=O)ccc3cc(C(=O)NCc4ccncc4)[nH]c32)cc1
InChIInChI=1S/C23H22N4O3/c1-15(2)30-19-6-4-18(5-7-19)27-21(28)8-3-17-13-20(26-22(17)27)23(29)25-14-16-9-11-24-12-10-16/h3-13,15,26H,14H2,1-2H3,(H,25,29)
InChIKeyBBTKFUXAZGNQOS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.43
Rot. Bonds6

About 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58051534) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58051534
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(-n2c(=O)ccc3cc(C(=O)NCc4ccncc4)[nH]c32)cc1
InChIInChI=1S/C23H22N4O3/c1-15(2)30-19-6-4-18(5-7-19)27-21(28)8-3-17-13-20(26-22(17)27)23(29)25-14-16-9-11-24-12-10-16/h3-13,15,26H,14H2,1-2H3,(H,25,29)
InChIKeyBBTKFUXAZGNQOS-UHFFFAOYSA-N
XLogP3.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-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

7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118963769
N-(3-methoxyphenyl)-6-oxo-7-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118963780
1-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 58752930
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159824
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735
1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2H-isoquinoline-3-carboxamide
CID 56817985
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326206
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 121022286
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153

Frequently Asked Questions

What is the IUPAC name of 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58051534) is 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)Oc1ccc(-n2c(=O)ccc3cc(C(=O)NCc4ccncc4)[nH]c32)cc1.
What is the InChIKey of 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BBTKFUXAZGNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15(2)30-19-6-4-18(5-7-19)27-21(28)8-3-17-13-20(26-22(17)27)23(29)25-14-16-9-11-24-12-10-16/h3-13,15,26H,14H2,1-2H3,(H,25,29).
What are the key properties of 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58051534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).