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

C25H28FN7O — CID 167502110

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

4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (PubChem CID 167502110) has the molecular formula C25H28FN7O and a molecular weight of 461.55 g/mol. Its IUPAC name is 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
• PubChem CID: 167502110
• Molecular Formula: C25H28FN7O
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.23
• IUPAC Name: 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
• SMILES: Cc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](NC5CCC5)C4)c4cn(C)nc34)cc(F)c2n1
• InChI: InChI=1S/C25H28FN7O/c1-15-11-33-13-18(10-21(26)24(33)27-15)29-25(34)19-6-7-22(20-14-31(2)30-23(19)20)32-9-8-17(12-32)28-16-4-3-5-16/h6-7,10-11,13-14,16-17,28H,3-5,8-9,12H2,1-2H3,(H,29,34)/t17-/m1/s1
• InChIKey: IUFGKWSSDZYJLI-QGZVFWFLSA-N
• XLogP: 3.64
• TPSA: 79.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.55
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (CID 167502110) is 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

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

The canonical SMILES for 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](NC5CCC5)C4)c4cn(C)nc34)cc(F)c2n1.

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

The InChIKey is IUFGKWSSDZYJLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28FN7O/c1-15-11-33-13-18(10-21(26)24(33)27-15)29-25(34)19-6-7-22(20-14-31(2)30-23(19)20)32-9-8-17(12-32)28-16-4-3-5-16/h6-7,10-11,13-14,16-17,28H,3-5,8-9,12H2,1-2H3,(H,29,34)/t17-/m1/s1.

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

4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167502110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).