N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide

C27H29N5O — CID 156503327

About N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide (PubChem CID 156503327) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide
• PubChem CID: 156503327
• Molecular Formula: C27H29N5O
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.24
• IUPAC Name: N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide
• SMILES: CC(c1ccncc1)c1ccc(C(=O)Nc2cc3[nH]c(CN4CCC[C@@H]4C)cc3cn2)cc1
• InChI: InChI=1S/C27H29N5O/c1-18-4-3-13-32(18)17-24-14-23-16-29-26(15-25(23)30-24)31-27(33)22-7-5-20(6-8-22)19(2)21-9-11-28-12-10-21/h5-12,14-16,18-19,30H,3-4,13,17H2,1-2H3,(H,29,31,33)/t18-,19?/m0/s1
• InChIKey: WNAJFIIVKZJSMV-OYKVQYDMSA-N
• XLogP: 5.35
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide?

The IUPAC name of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide (CID 156503327) is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide.

What is the SMILES notation for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide?

The canonical SMILES for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide is CC(c1ccncc1)c1ccc(C(=O)Nc2cc3[nH]c(CN4CCC[C@@H]4C)cc3cn2)cc1.

What is the InChIKey of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide?

The InChIKey is WNAJFIIVKZJSMV-OYKVQYDMSA-N. The full InChI is InChI=1S/C27H29N5O/c1-18-4-3-13-32(18)17-24-14-23-16-29-26(15-25(23)30-24)31-27(33)22-7-5-20(6-8-22)19(2)21-9-11-28-12-10-21/h5-12,14-16,18-19,30H,3-4,13,17H2,1-2H3,(H,29,31,33)/t18-,19?/m0/s1.

What are the key properties of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide?

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 439.56 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 156503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).