N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23F2N9O2 — CID 146236270

About N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146236270) has the molecular formula C24H23F2N9O2 and a molecular weight of 507.51 g/mol. Its IUPAC name is N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146236270
• Molecular Formula: C24H23F2N9O2
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4cn[nH]c4cc3OC(F)F)n2)C1
• InChI: InChI=1S/C24H23F2N9O2/c1-33-6-2-4-15(12-33)35-13-19(30-23(36)17-11-29-34-7-3-5-27-22(17)34)21(32-35)16-8-14-10-28-31-18(14)9-20(16)37-24(25)26/h3,5,7-11,13,15,24H,2,4,6,12H2,1H3,(H,28,31)(H,30,36)
• InChIKey: AMJJAYYRLCPXSK-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 118.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146236270) is N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4cn[nH]c4cc3OC(F)F)n2)C1.

What is the InChIKey of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AMJJAYYRLCPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N9O2/c1-33-6-2-4-15(12-33)35-13-19(30-23(36)17-11-29-34-7-3-5-27-22(17)34)21(32-35)16-8-14-10-28-31-18(14)9-20(16)37-24(25)26/h3,5,7-11,13,15,24H,2,4,6,12H2,1H3,(H,28,31)(H,30,36).

What are the key properties of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 507.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146236270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).