N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C55H48F4N14O8 — CID 164976370

About N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164976370) has the molecular formula C55H48F4N14O8 and a molecular weight of 1109.07 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164976370
• Molecular Formula: C55H48F4N14O8
• Molecular Weight: 1109.07 g/mol
• Exact Mass: 1108.37
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)C(=O)CNCc1cccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)c1.O=C(Nc1cn(C2COC2)nc1-c1cc(Oc2ccccc2)ccc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C29H28F2N8O4.C26H20F2N6O4/c1-37(2)25(40)16-32-14-18-6-4-7-19(12-18)42-20-8-9-24(43-29(30)31)21(13-20)26-23(17-38(3)36-26)35-28(41)22-15-34-39-11-5-10-33-27(22)39;27-26(28)38-22-8-7-18(37-17-5-2-1-3-6-17)11-19(22)23-21(13-34(32-23)16-14-36-15-16)31-25(35)20-12-30-33-10-4-9-29-24(20)33/h4-13,15,17,29,32H,14,16H2,1-3H3,(H,35,41);1-13,16,26H,14-15H2,(H,31,35)
• InChIKey: DVNJKSCDJMCQIN-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 232.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.07
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164976370) is N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)CNCc1cccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)c1.O=C(Nc1cn(C2COC2)nc1-c1cc(Oc2ccccc2)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DVNJKSCDJMCQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N8O4.C26H20F2N6O4/c1-37(2)25(40)16-32-14-18-6-4-7-19(12-18)42-20-8-9-24(43-29(30)31)21(13-20)26-23(17-38(3)36-26)35-28(41)22-15-34-39-11-5-10-33-27(22)39;27-26(28)38-22-8-7-18(37-17-5-2-1-3-6-17)11-19(22)23-21(13-34(32-23)16-14-36-15-16)31-25(35)20-12-30-33-10-4-9-29-24(20)33/h4-13,15,17,29,32H,14,16H2,1-3H3,(H,35,41);1-13,16,26H,14-15H2,(H,31,35).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1109.07 g/mol, XLogP of 8.76, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164976370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).