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

C24H30N6O4 — CID 129297980

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

N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297980) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297980
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CC(N)O)CC3)cc2O1
• InChI: InChI=1S/C24H30N6O4/c1-24(14-31)12-16-10-18(28-23(33)17-13-27-30-6-2-5-26-22(17)30)19(11-20(16)34-24)29-7-3-15(4-8-29)9-21(25)32/h2,5-6,10-11,13,15,21,31-32H,3-4,7-9,12,14,25H2,1H3,(H,28,33)/t21?,24-/m1/s1
• InChIKey: PHFFWRZIVHDOJA-MQNHUJCZSA-N
• XLogP: 1.55
• TPSA: 138.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297980) is N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

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

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

The InChIKey is PHFFWRZIVHDOJA-MQNHUJCZSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-24(14-31)12-16-10-18(28-23(33)17-13-27-30-6-2-5-26-22(17)30)19(11-20(16)34-24)29-7-3-15(4-8-29)9-21(25)32/h2,5-6,10-11,13,15,21,31-32H,3-4,7-9,12,14,25H2,1H3,(H,28,33)/t21?,24-/m1/s1.

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

N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).