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

C27H27F2N9O4 — CID 164729858

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

N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729858) has the molecular formula C27H27F2N9O4 and a molecular weight of 579.57 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729858
• Molecular Formula: C27H27F2N9O4
• Molecular Weight: 579.57 g/mol
• Exact Mass: 579.22
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(CCN4CCOCC4)c3)ccc2OC(F)F)n1
• InChI: InChI=1S/C27H27F2N9O4/c1-35-17-22(33-26(39)21-15-32-38-6-2-5-30-25(21)38)24(34-35)20-13-18(3-4-23(20)42-27(28)29)41-19-14-31-37(16-19)8-7-36-9-11-40-12-10-36/h2-6,13-17,27H,7-12H2,1H3,(H,33,39)
• InChIKey: JAFAHGHAXMRILM-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 125.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.57
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729858) is N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-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-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(CCN4CCOCC4)c3)ccc2OC(F)F)n1.

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

The InChIKey is JAFAHGHAXMRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9O4/c1-35-17-22(33-26(39)21-15-32-38-6-2-5-30-25(21)38)24(34-35)20-13-18(3-4-23(20)42-27(28)29)41-19-14-31-37(16-19)8-7-36-9-11-40-12-10-36/h2-6,13-17,27H,7-12H2,1H3,(H,33,39).

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

N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 579.57 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).