N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H27F2N7O2 — CID 135200202

About N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200202) has the molecular formula C28H27F2N7O2 and a molecular weight of 531.57 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135200202
• Molecular Formula: C28H27F2N7O2
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.22
• IUPAC Name: N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC(Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4ccccc4cc3OC(F)F)n2)CC1
• InChI: InChI=1S/C28H27F2N7O2/c1-35-11-7-18(8-12-35)16-36-17-23(33-27(38)22-15-32-37-10-4-9-31-26(22)37)25(34-36)21-13-19-5-2-3-6-20(19)14-24(21)39-28(29)30/h2-6,9-10,13-15,17-18,28H,7-8,11-12,16H2,1H3,(H,33,38)
• InChIKey: YXXAKMIFLSWVRM-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200202) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4ccccc4cc3OC(F)F)n2)CC1.

What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YXXAKMIFLSWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O2/c1-35-11-7-18(8-12-35)16-36-17-23(33-27(38)22-15-32-37-10-4-9-31-26(22)37)25(34-36)21-13-19-5-2-3-6-20(19)14-24(21)39-28(29)30/h2-6,9-10,13-15,17-18,28H,7-8,11-12,16H2,1H3,(H,33,38).

What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 531.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).