N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C51H42F4N14O8 — CID 165077730

About N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165077730) has the molecular formula C51H42F4N14O8 and a molecular weight of 1054.98 g/mol. Its IUPAC name is N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165077730
• Molecular Formula: C51H42F4N14O8
• Molecular Weight: 1054.98 g/mol
• Exact Mass: 1054.32
• IUPAC Name: N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(=O)c1ccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(C4CCC4O)c3)ccc2OC(F)F)n1
• InChI: InChI=1S/C26H20F2N6O4.C25H22F2N8O4/c1-15(35)16-4-6-17(7-5-16)37-18-8-9-22(38-26(27)28)19(12-18)23-21(14-33(2)32-23)31-25(36)20-13-30-34-11-3-10-29-24(20)34;1-33-13-18(31-24(37)17-11-30-34-8-2-7-28-23(17)34)22(32-33)16-9-14(3-6-21(16)39-25(26)27)38-15-10-29-35(12-15)19-4-5-20(19)36/h3-14,26H,1-2H3,(H,31,36);2-3,6-13,19-20,25,36H,4-5H2,1H3,(H,31,37)
• InChIKey: UPGGAJADWZWHNX-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 246.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.98
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165077730) is N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)c1ccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(C4CCC4O)c3)ccc2OC(F)F)n1.

What is the InChIKey of N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UPGGAJADWZWHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O4.C25H22F2N8O4/c1-15(35)16-4-6-17(7-5-16)37-18-8-9-22(38-26(27)28)19(12-18)23-21(14-33(2)32-23)31-25(36)20-13-30-34-11-3-10-29-24(20)34;1-33-13-18(31-24(37)17-11-30-34-8-2-7-28-23(17)34)22(32-33)16-9-14(3-6-21(16)39-25(26)27)38-15-10-29-35(12-15)19-4-5-20(19)36/h3-14,26H,1-2H3,(H,31,36);2-3,6-13,19-20,25,36H,4-5H2,1H3,(H,31,37).

What are the key properties of N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1054.98 g/mol, XLogP of 8.65, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-acetylphenoxy)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(2-hydroxycyclobutyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165077730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).