4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

C25H24F2N8O — CID 167501936

About 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (PubChem CID 167501936) has the molecular formula C25H24F2N8O and a molecular weight of 490.52 g/mol. Its IUPAC name is 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
• PubChem CID: 167501936
• Molecular Formula: C25H24F2N8O
• Molecular Weight: 490.52 g/mol
• Exact Mass: 490.20
• IUPAC Name: 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
• SMILES: Cc1cn2cc(NC(=O)c3c(F)cc(N4CC[C@H](NC5(C#N)CC5)C4)c4cn(C)nc34)cc(F)c2n1
• InChI: InChI=1S/C25H24F2N8O/c1-14-9-35-11-16(7-19(27)23(35)29-14)30-24(36)21-18(26)8-20(17-12-33(2)32-22(17)21)34-6-3-15(10-34)31-25(13-28)4-5-25/h7-9,11-12,15,31H,3-6,10H2,1-2H3,(H,30,36)/t15-/m0/s1
• InChIKey: XUAKISHBYFJILI-HNNXBMFYSA-N
• XLogP: 3.28
• TPSA: 103.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?

The IUPAC name of 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (CID 167501936) is 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

What is the SMILES notation for 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?

The canonical SMILES for 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is Cc1cn2cc(NC(=O)c3c(F)cc(N4CC[C@H](NC5(C#N)CC5)C4)c4cn(C)nc34)cc(F)c2n1.

What is the InChIKey of 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?

The InChIKey is XUAKISHBYFJILI-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H24F2N8O/c1-14-9-35-11-16(7-19(27)23(35)29-14)30-24(36)21-18(26)8-20(17-12-33(2)32-22(17)21)34-6-3-15(10-34)31-25(13-28)4-5-25/h7-9,11-12,15,31H,3-6,10H2,1-2H3,(H,30,36)/t15-/m0/s1.

What are the key properties of 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?

4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[(1-cyanocyclopropyl)amino]pyrrolidin-1-yl]-6-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167501936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).