N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26F3N5O4 — CID 129297549

About N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297549) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297549
• Molecular Formula: C24H26F3N5O4
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.19
• IUPAC Name: N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@](CCO)(C(F)(F)F)C2)c1cnn2cccnc12
• InChI: InChI=1S/C24H26F3N5O4/c25-24(26,27)23(4-9-33)12-16-10-18(30-22(35)17-13-29-32-6-1-5-28-21(17)32)19(11-20(16)36-23)31-7-2-15(14-34)3-8-31/h1,5-6,10-11,13,15,33-34H,2-4,7-9,12,14H2,(H,30,35)/t23-/m0/s1
• InChIKey: IWADHUPXFKUAQP-QHCPKHFHSA-N
• XLogP: 2.81
• TPSA: 112.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297549) is N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@](CCO)(C(F)(F)F)C2)c1cnn2cccnc12.

What is the InChIKey of N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IWADHUPXFKUAQP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c25-24(26,27)23(4-9-33)12-16-10-18(30-22(35)17-13-29-32-6-1-5-28-21(17)32)19(11-20(16)36-23)31-7-2-15(14-34)3-8-31/h1,5-6,10-11,13,15,33-34H,2-4,7-9,12,14H2,(H,30,35)/t23-/m0/s1.

What are the key properties of N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).