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

C24H25N7O3 — CID 170634812

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

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634812) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-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-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634812
• Molecular Formula: C24H25N7O3
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.20
• IUPAC Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(-c3cnco3)cc2c1
• InChI: InChI=1S/C24H25N7O3/c1-14-4-3-5-31(14)12-22(32)28-18-8-19(15(2)26-10-18)30-24(33)17-6-16-7-20(21-11-25-13-34-21)29-23(16)27-9-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,27,29)(H,28,32)(H,30,33)/t14-/m0/s1
• InChIKey: XAQAWIWVTIJJSY-AWEZNQCLSA-N
• XLogP: 3.60
• TPSA: 129.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	3.60
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-(1,3-oxazol-5-yl)-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-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634812) is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-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-(1,3-oxazol-5-yl)-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-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(-c3cnco3)cc2c1.

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

The InChIKey is XAQAWIWVTIJJSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14-4-3-5-31(14)12-22(32)28-18-8-19(15(2)26-10-18)30-24(33)17-6-16-7-20(21-11-25-13-34-21)29-23(16)27-9-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,27,29)(H,28,32)(H,30,33)/t14-/m0/s1.

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

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.60, 6 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-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).