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

C29H26F2N6O4 — CID 164970687

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

N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164970687) has the molecular formula C29H26F2N6O4 and a molecular weight of 560.56 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164970687
• Molecular Formula: C29H26F2N6O4
• Molecular Weight: 560.56 g/mol
• Exact Mass: 560.20
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc(C2(O)CCC2)c1
• InChI: InChI=1S/C29H26F2N6O4/c1-17-11-18(29(39)7-3-8-29)13-20(12-17)40-19-5-6-24(41-28(30)31)21(14-19)25-23(16-36(2)35-25)34-27(38)22-15-33-37-10-4-9-32-26(22)37/h4-6,9-16,28,39H,3,7-8H2,1-2H3,(H,34,38)
• InChIKey: AMRDWDBXLPLGHY-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 115.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164970687) is N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc(C2(O)CCC2)c1.

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

The InChIKey is AMRDWDBXLPLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O4/c1-17-11-18(29(39)7-3-8-29)13-20(12-17)40-19-5-6-24(41-28(30)31)21(14-19)25-23(16-36(2)35-25)34-27(38)22-15-33-37-10-4-9-32-26(22)37/h4-6,9-16,28,39H,3,7-8H2,1-2H3,(H,34,38).

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

N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 560.56 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[3-(1-hydroxycyclobutyl)-5-methylphenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).