N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C48H58N10O8 — CID 159283697

About N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159283697) has the molecular formula C48H58N10O8 and a molecular weight of 903.05 g/mol. Its IUPAC name is N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159283697
• Molecular Formula: C48H58N10O8
• Molecular Weight: 903.05 g/mol
• Exact Mass: 902.44
• IUPAC Name: N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@]1(O)CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)C[C@](C)(CO)O3)CC1.C[C@]1(O)CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)C[C@](C)(CO)O3)CC1
• InChI: InChI=1S/2C24H29N5O4/c2*1-23(32)5-3-8-28(10-6-23)19-12-20-16(13-24(2,15-30)33-20)11-18(19)27-22(31)17-14-26-29-9-4-7-25-21(17)29/h2*4,7,9,11-12,14,30,32H,3,5-6,8,10,13,15H2,1-2H3,(H,27,31)/t23-,24+;23-,24-/m01/s1
• InChIKey: KZFUAXGIKVNRJJ-ALTAEONVSA-N
• XLogP: 4.82
• TPSA: 224.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.05
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159283697) is N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@]1(O)CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)C[C@](C)(CO)O3)CC1.C[C@]1(O)CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)C[C@](C)(CO)O3)CC1.

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

The InChIKey is KZFUAXGIKVNRJJ-ALTAEONVSA-N. The full InChI is InChI=1S/2C24H29N5O4/c2*1-23(32)5-3-8-28(10-6-23)19-12-20-16(13-24(2,15-30)33-20)11-18(19)27-22(31)17-14-26-29-9-4-7-25-21(17)29/h2*4,7,9,11-12,14,30,32H,3,5-6,8,10,13,15H2,1-2H3,(H,27,31)/t23-,24+;23-,24-/m01/s1.

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

N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 903.05 g/mol, XLogP of 4.82, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159283697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).