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

C20H19N5O2 — CID 57395101

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

N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 57395101) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 57395101
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cn(C)c3nc(-c4cn[nH]c4)ccc23)c1
• InChI: InChI=1S/C20H19N5O2/c1-25-12-17(20(26)21-9-13-4-3-5-15(8-13)27-2)16-6-7-18(24-19(16)25)14-10-22-23-11-14/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,22,23)
• InChIKey: XSFGUNMNRRRFQQ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 57395101) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is COc1cccc(CNC(=O)c2cn(C)c3nc(-c4cn[nH]c4)ccc23)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is XSFGUNMNRRRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-12-17(20(26)21-9-13-4-3-5-15(8-13)27-2)16-6-7-18(24-19(16)25)14-10-22-23-11-14/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,22,23).

What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?

N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 57395101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).