5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H29F2N7O2 — CID 78127775

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78127775) has the molecular formula C28H29F2N7O2 and a molecular weight of 533.58 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 78127775
• Molecular Formula: C28H29F2N7O2
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.24
• IUPAC Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1cnn2c1CCC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
• InChI: InChI=1S/C28H29F2N7O2/c1-34(2)28(39)22-15-32-37-16-18(6-8-25(22)37)33-27(38)21-14-31-36-11-9-19(13-26(21)36)35-10-3-4-24(35)20-12-17(29)5-7-23(20)30/h5,7,9,11-15,18,24H,3-4,6,8,10,16H2,1-2H3,(H,33,38)
• InChIKey: KVZKWDHNOGIOIK-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 87.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 78127775) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)C(=O)c1cnn2c1CCC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2.

What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is KVZKWDHNOGIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O2/c1-34(2)28(39)22-15-32-37-16-18(6-8-25(22)37)33-27(38)21-14-31-36-11-9-19(13-26(21)36)35-10-3-4-24(35)20-12-17(29)5-7-23(20)30/h5,7,9,11-15,18,24H,3-4,6,8,10,16H2,1-2H3,(H,33,38).

What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78127775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).