4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide

C23H17N5O3 — CID 58087392

IUPAC4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide
SMILESO=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)NCc1cccnc1
InChIInChI=1S/C23H17N5O3/c29-15-9-18-19(13-26-22(18)25-12-15)21(30)17-4-1-5-20-16(17)6-8-28(20)23(31)27-11-14-3-2-7-24-10-14/h1-10,12-13,29H,11H2,(H,25,26)(H,27,31)
InChIKeyQFAKYLMZOVLACT-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.61
Rot. Bonds4

About 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide

4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide (PubChem CID 58087392) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide
PubChem CID58087392
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide
SMILESO=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)NCc1cccnc1
InChIInChI=1S/C23H17N5O3/c29-15-9-18-19(13-26-22(18)25-12-15)21(30)17-4-1-5-20-16(17)6-8-28(20)23(31)27-11-14-3-2-7-24-10-14/h1-10,12-13,29H,11H2,(H,25,26)(H,27,31)
InChIKeyQFAKYLMZOVLACT-UHFFFAOYSA-N
XLogP3.61
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-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 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide?
The IUPAC name of 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide (CID 58087392) is 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide.
What is the SMILES notation for 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide?
The canonical SMILES for 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide is O=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)NCc1cccnc1.
What is the InChIKey of 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide?
The InChIKey is QFAKYLMZOVLACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-15-9-18-19(13-26-22(18)25-12-15)21(30)17-4-1-5-20-16(17)6-8-28(20)23(31)27-11-14-3-2-7-24-10-14/h1-10,12-13,29H,11H2,(H,25,26)(H,27,31).
What are the key properties of 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide?
4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)indole-1-carboxamide is sourced from PubChem (CID 58087392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).