2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C27H29N7O3 — CID 170635109

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170635109) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170635109
• Molecular Formula: C27H29N7O3
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.23
• IUPAC Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: COc1ncccc1-c1cc2cc(C(=O)Nc3cc(NC(=O)CN4CCC[C@@H]4C)cnc3C)cnc2[nH]1
• InChI: InChI=1S/C27H29N7O3/c1-16-6-5-9-34(16)15-24(35)31-20-12-22(17(2)29-14-20)33-26(36)19-10-18-11-23(32-25(18)30-13-19)21-7-4-8-28-27(21)37-3/h4,7-8,10-14,16H,5-6,9,15H2,1-3H3,(H,30,32)(H,31,35)(H,33,36)/t16-/m0/s1
• InChIKey: KFZQVUSULWLGSV-INIZCTEOSA-N
• XLogP: 4.01
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170635109) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is COc1ncccc1-c1cc2cc(C(=O)Nc3cc(NC(=O)CN4CCC[C@@H]4C)cnc3C)cnc2[nH]1.

What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is KFZQVUSULWLGSV-INIZCTEOSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-16-6-5-9-34(16)15-24(35)31-20-12-22(17(2)29-14-20)33-26(36)19-10-18-11-23(32-25(18)30-13-19)21-7-4-8-28-27(21)37-3/h4,7-8,10-14,16H,5-6,9,15H2,1-3H3,(H,30,32)(H,31,35)(H,33,36)/t16-/m0/s1.

What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170635109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).