N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F2N9O3 — CID 164729839

About N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729839) has the molecular formula C25H23F2N9O3 and a molecular weight of 535.52 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729839
• Molecular Formula: C25H23F2N9O3
• Molecular Weight: 535.52 g/mol
• Exact Mass: 535.19
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(C4CCNC4)c3)ccc2OC(F)F)n1
• InChI: InChI=1S/C25H23F2N9O3/c1-34-14-20(32-24(37)19-12-31-35-8-2-6-29-23(19)35)22(33-34)18-9-16(3-4-21(18)39-25(26)27)38-17-11-30-36(13-17)15-5-7-28-10-15/h2-4,6,8-9,11-15,25,28H,5,7,10H2,1H3,(H,32,37)
• InChIKey: AAPQTKGJTVRIEV-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 125.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.52
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729839) is N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(C4CCNC4)c3)ccc2OC(F)F)n1.

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

The InChIKey is AAPQTKGJTVRIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O3/c1-34-14-20(32-24(37)19-12-31-35-8-2-6-29-23(19)35)22(33-34)18-9-16(3-4-21(18)39-25(26)27)38-17-11-30-36(13-17)15-5-7-28-10-15/h2-4,6,8-9,11-15,25,28H,5,7,10H2,1H3,(H,32,37).

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

N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 535.52 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).