N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F2N5O2 — CID 145338344

About N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145338344) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 145338344
• Molecular Formula: C20H19F2N5O2
• Molecular Weight: 399.40 g/mol
• Exact Mass: 399.15
• IUPAC Name: N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(F)(F)C3)cc2O1
• InChI: InChI=1S/C20H19F2N5O2/c1-12-7-13-8-15(16(9-17(13)29-12)26-6-3-20(21,22)11-26)25-19(28)14-10-24-27-5-2-4-23-18(14)27/h2,4-5,8-10,12H,3,6-7,11H2,1H3,(H,25,28)
• InChIKey: IAZDBSPBYGZHLR-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.40
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145338344) is N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(F)(F)C3)cc2O1.

What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IAZDBSPBYGZHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-12-7-13-8-15(16(9-17(13)29-12)26-6-3-20(21,22)11-26)25-19(28)14-10-24-27-5-2-4-23-18(14)27/h2,4-5,8-10,12H,3,6-7,11H2,1H3,(H,25,28).

What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145338344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).