N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H21F2N7O4 — CID 135186856

About N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135186856) has the molecular formula C23H21F2N7O4 and a molecular weight of 497.46 g/mol. Its IUPAC name is N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135186856
• Molecular Formula: C23H21F2N7O4
• Molecular Weight: 497.46 g/mol
• Exact Mass: 497.16
• IUPAC Name: N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3c(cc2OC(F)F)CCO3)n1
• InChI: InChI=1S/C23H21F2N7O4/c1-30(2)19(33)12-31-11-16(28-22(34)15-10-27-32-6-3-5-26-21(15)32)20(29-31)14-9-17-13(4-7-35-17)8-18(14)36-23(24)25/h3,5-6,8-11,23H,4,7,12H2,1-2H3,(H,28,34)
• InChIKey: DBNDNQMXDXFRBB-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 115.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.46
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135186856) is N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3c(cc2OC(F)F)CCO3)n1.

What is the InChIKey of N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DBNDNQMXDXFRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O4/c1-30(2)19(33)12-31-11-16(28-22(34)15-10-27-32-6-3-5-26-21(15)32)20(29-31)14-9-17-13(4-7-35-17)8-18(14)36-23(24)25/h3,5-6,8-11,23H,4,7,12H2,1-2H3,(H,28,34).

What are the key properties of N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135186856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).