N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C31H35N7O3 — CID 176547695

About N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 176547695) has the molecular formula C31H35N7O3 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 176547695
• Molecular Formula: C31H35N7O3
• Molecular Weight: 553.67 g/mol
• Exact Mass: 553.28
• IUPAC Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(C3=CN(C4CCOCC4)C=C=C3)cc2c1
• InChI: InChI=1S/C31H35N7O3/c1-20-5-3-9-37(20)19-29(39)34-25-15-27(21(2)32-17-25)36-31(40)24-13-23-14-28(35-30(23)33-16-24)22-6-4-10-38(18-22)26-7-11-41-12-8-26/h6,10,13-18,20,26H,3,5,7-9,11-12,19H2,1-2H3,(H,33,35)(H,34,39)(H,36,40)/t20-/m0/s1
• InChIKey: ZGCUMQIXQBPHQQ-FQEVSTJZSA-N
• XLogP: 4.45
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.67
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 176547695) is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(C3=CN(C4CCOCC4)C=C=C3)cc2c1.

What is the InChIKey of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is ZGCUMQIXQBPHQQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H35N7O3/c1-20-5-3-9-37(20)19-29(39)34-25-15-27(21(2)32-17-25)36-31(40)24-13-23-14-28(35-30(23)33-16-24)22-6-4-10-38(18-22)26-7-11-41-12-8-26/h6,10,13-18,20,26H,3,5,7-9,11-12,19H2,1-2H3,(H,33,35)(H,34,39)(H,36,40)/t20-/m0/s1.

What are the key properties of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 176547695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).