N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H28ClF5N8O3 — CID 118523223

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118523223) has the molecular formula C32H28ClF5N8O3 and a molecular weight of 703.07 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118523223
• Molecular Formula: C32H28ClF5N8O3
• Molecular Weight: 703.07 g/mol
• Exact Mass: 702.19
• IUPAC Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(CC(F)(F)F)C1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1
• InChI: InChI=1S/C32H28ClF5N8O3/c1-43(18-32(36,37)38)21-9-13-44(14-10-21)30(48)19-3-6-22(7-4-19)46-17-25(41-29(47)24-16-40-45-12-2-11-39-28(24)45)27(42-46)23-15-20(33)5-8-26(23)49-31(34)35/h2-8,11-12,15-17,21,31H,9-10,13-14,18H2,1H3,(H,41,47)
• InChIKey: VSOOYJQGGFJUNZ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 109.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.07
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118523223) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CC(F)(F)F)C1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1.

What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VSOOYJQGGFJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClF5N8O3/c1-43(18-32(36,37)38)21-9-13-44(14-10-21)30(48)19-3-6-22(7-4-19)46-17-25(41-29(47)24-16-40-45-12-2-11-39-28(24)45)27(42-46)23-15-20(33)5-8-26(23)49-31(34)35/h2-8,11-12,15-17,21,31H,9-10,13-14,18H2,1H3,(H,41,47).

What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 703.07 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118523223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).