N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C24H25FN8O3 — CID 170634654

About N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634654) has the molecular formula C24H25FN8O3 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634654
• Molecular Formula: C24H25FN8O3
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.20
• IUPAC Name: N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CO[C@H]1CCN(CC(=O)Nc2cnc(F)c(NC(=O)c3cnc4[nH]c(-c5cnn(C)c5)cc4c3)c2)C1
• InChI: InChI=1S/C24H25FN8O3/c1-32-11-16(9-28-32)19-6-14-5-15(8-27-23(14)30-19)24(35)31-20-7-17(10-26-22(20)25)29-21(34)13-33-4-3-18(12-33)36-2/h5-11,18H,3-4,12-13H2,1-2H3,(H,27,30)(H,29,34)(H,31,35)/t18-/m0/s1
• InChIKey: TWDUXTSCXYKIQU-SFHVURJKSA-N
• XLogP: 2.41
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.52
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634654) is N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

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

The canonical SMILES for N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CO[C@H]1CCN(CC(=O)Nc2cnc(F)c(NC(=O)c3cnc4[nH]c(-c5cnn(C)c5)cc4c3)c2)C1.

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

The InChIKey is TWDUXTSCXYKIQU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN8O3/c1-32-11-16(9-28-32)19-6-14-5-15(8-27-23(14)30-19)24(35)31-20-7-17(10-26-22(20)25)29-21(34)13-33-4-3-18(12-33)36-2/h5-11,18H,3-4,12-13H2,1-2H3,(H,27,30)(H,29,34)(H,31,35)/t18-/m0/s1.

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

N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[[2-[(3S)-3-methoxypyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).