N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C19H17N5O2 — CID 57394348

IUPACN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cnc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(5-15)8-21-19(25)18-6-13-9-20-16(7-17(13)24-18)14-10-22-23-11-14/h2-7,9-11,24H,8H2,1H3,(H,21,25)(H,22,23)
InChIKeyPNQBFFMUTOOPRR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 57394348) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID57394348
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cnc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(5-15)8-21-19(25)18-6-13-9-20-16(7-17(13)24-18)14-10-22-23-11-14/h2-7,9-11,24H,8H2,1H3,(H,21,25)(H,22,23)
InChIKeyPNQBFFMUTOOPRR-UHFFFAOYSA-N
XLogP2.89
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 57394348) is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc3cnc(-c4cn[nH]c4)cc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is PNQBFFMUTOOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(5-15)8-21-19(25)18-6-13-9-20-16(7-17(13)24-18)14-10-22-23-11-14/h2-7,9-11,24H,8H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 57394348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).