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

C25H31N5O4 — CID 135354418

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

N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354418) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135354418
• Molecular Formula: C25H31N5O4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.24
• IUPAC Name: N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(C(C)(C)O)CC3)cc2O1
• InChI: InChI=1S/C25H31N5O4/c1-24(2,33)17-5-9-29(10-6-17)20-12-21-16(13-25(3,15-31)34-21)11-19(20)28-23(32)18-14-27-30-8-4-7-26-22(18)30/h4,7-8,11-12,14,17,31,33H,5-6,9-10,13,15H2,1-3H3,(H,28,32)
• InChIKey: ZUYMULPYFXAQAB-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 112.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354418) is N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(C(C)(C)O)CC3)cc2O1.

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

The InChIKey is ZUYMULPYFXAQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-24(2,33)17-5-9-29(10-6-17)20-12-21-16(13-25(3,15-31)34-21)11-19(20)28-23(32)18-14-27-30-8-4-7-26-22(18)30/h4,7-8,11-12,14,17,31,33H,5-6,9-10,13,15H2,1-3H3,(H,28,32).

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

N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).