N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H24F2N6O — CID 118644390

About N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 118644390) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 118644390
• Molecular Formula: C25H24F2N6O
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.20
• IUPAC Name: N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: CC1CC(N)CC(c2ccncc2NC(=O)c2ccn3ncc(-c4c(F)cccc4F)c3n2)C1
• InChI: InChI=1S/C25H24F2N6O/c1-14-9-15(11-16(28)10-14)17-5-7-29-13-22(17)32-25(34)21-6-8-33-24(31-21)18(12-30-33)23-19(26)3-2-4-20(23)27/h2-8,12-16H,9-11,28H2,1H3,(H,32,34)
• InChIKey: MXEWWOPSZYBIAV-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 118644390) is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC1CC(N)CC(c2ccncc2NC(=O)c2ccn3ncc(-c4c(F)cccc4F)c3n2)C1.

What is the InChIKey of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is MXEWWOPSZYBIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-14-9-15(11-16(28)10-14)17-5-7-29-13-22(17)32-25(34)21-6-8-33-24(31-21)18(12-30-33)23-19(26)3-2-4-20(23)27/h2-8,12-16H,9-11,28H2,1H3,(H,32,34).

What are the key properties of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?

N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-3-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118644390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).