N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H27F2N9O4 — CID 164729987

About N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729987) has the molecular formula C27H27F2N9O4 and a molecular weight of 579.57 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729987
• Molecular Formula: C27H27F2N9O4
• Molecular Weight: 579.57 g/mol
• Exact Mass: 579.22
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(CC4(O)CN(C)C4)c3)ccc2OC(F)F)n1
• InChI: InChI=1S/C27H27F2N9O4/c1-3-36-13-21(33-25(39)20-11-32-38-8-4-7-30-24(20)38)23(34-36)19-9-17(5-6-22(19)42-26(28)29)41-18-10-31-37(12-18)16-27(40)14-35(2)15-27/h4-13,26,40H,3,14-16H2,1-2H3,(H,33,39)
• InChIKey: SJPDIBHMBAYMJN-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 136.86 Ų
• H-Bond Donors: 2
• 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	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729987) is N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cnn(CC4(O)CN(C)C4)c3)ccc2OC(F)F)n1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SJPDIBHMBAYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9O4/c1-3-36-13-21(33-25(39)20-11-32-38-8-4-7-30-24(20)38)23(34-36)19-9-17(5-6-22(19)42-26(28)29)41-18-10-31-37(12-18)16-27(40)14-35(2)15-27/h4-13,26,40H,3,14-16H2,1-2H3,(H,33,39).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 579.57 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[1-[(3-hydroxy-1-methylazetidin-3-yl)methyl]pyrazol-4-yl]oxyphenyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).