N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide

C25H27F3N6O — CID 166880548

About N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide

N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 166880548) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
• PubChem CID: 166880548
• Molecular Formula: C25H27F3N6O
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.22
• IUPAC Name: N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
• SMILES: CCN(CC1CCC(C)C1)C(=O)c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F
• InChI: InChI=1S/C25H27F3N6O/c1-3-32(14-17-8-7-16(2)10-17)24(35)20-11-22-18(12-29-20)23(31-34(22)15-25(26,27)28)19-13-30-33-9-5-4-6-21(19)33/h4-6,9,11-13,16-17H,3,7-8,10,14-15H2,1-2H3
• InChIKey: SCRWTDMQRNULFN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 68.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The IUPAC name of N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide (CID 166880548) is N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide.

What is the SMILES notation for N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The canonical SMILES for N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide is CCN(CC1CCC(C)C1)C(=O)c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F.

What is the InChIKey of N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The InChIKey is SCRWTDMQRNULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-3-32(14-17-8-7-16(2)10-17)24(35)20-11-22-18(12-29-20)23(31-34(22)15-25(26,27)28)19-13-30-33-9-5-4-6-21(19)33/h4-6,9,11-13,16-17H,3,7-8,10,14-15H2,1-2H3.

What are the key properties of N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide?

N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 166880548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).