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

C26H25ClF2N10O2 — CID 118522662

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522662) has the molecular formula C26H25ClF2N10O2 and a molecular weight of 583.00 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118522662
• Molecular Formula: C26H25ClF2N10O2
• Molecular Weight: 583.00 g/mol
• Exact Mass: 582.18
• IUPAC Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC(n2cc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)nn2)CC1
• InChI: InChI=1S/C26H25ClF2N10O2/c1-36-9-5-18(6-10-36)39-14-17(33-35-39)13-37-15-21(32-25(40)20-12-31-38-8-2-7-30-24(20)38)23(34-37)19-11-16(27)3-4-22(19)41-26(28)29/h2-4,7-8,11-12,14-15,18,26H,5-6,9-10,13H2,1H3,(H,32,40)
• InChIKey: HQJYSXXSRVQAJR-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 120.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.00
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522662) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(n2cc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)nn2)CC1.

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

The InChIKey is HQJYSXXSRVQAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N10O2/c1-36-9-5-18(6-10-36)39-14-17(33-35-39)13-37-15-21(32-25(40)20-12-31-38-8-2-7-30-24(20)38)23(34-37)19-11-16(27)3-4-22(19)41-26(28)29/h2-4,7-8,11-12,14-15,18,26H,5-6,9-10,13H2,1H3,(H,32,40).

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 583.00 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).