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

C24H25FN8O3 — CID 170634688

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

N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634688) has the molecular formula C24H25FN8O3 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-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-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634688
• Molecular Formula: C24H25FN8O3
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.20
• IUPAC Name: N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: C[C@@H]1COCCN1CC(=O)Nc1cnc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1
• InChI: InChI=1S/C24H25FN8O3/c1-14-13-36-4-3-33(14)12-21(34)29-18-7-20(22(25)26-10-18)31-24(35)16-5-15-6-19(30-23(15)27-8-16)17-9-28-32(2)11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,27,30)(H,29,34)(H,31,35)/t14-/m1/s1
• InChIKey: LKRIXALKDHFUDV-CQSZACIVSA-N
• XLogP: 2.41
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• 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-[(3R)-3-methylmorpholin-4-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-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634688) is N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-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-[(3R)-3-methylmorpholin-4-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-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is C[C@@H]1COCCN1CC(=O)Nc1cnc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1.

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

The InChIKey is LKRIXALKDHFUDV-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25FN8O3/c1-14-13-36-4-3-33(14)12-21(34)29-18-7-20(22(25)26-10-18)31-24(35)16-5-15-6-19(30-23(15)27-8-16)17-9-28-32(2)11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,27,30)(H,29,34)(H,31,35)/t14-/m1/s1.

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

N-[2-fluoro-5-[[2-[(3R)-3-methylmorpholin-4-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, 6 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-[(3R)-3-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).