5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N7O4 — CID 146383443

About 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383443) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383443
• Molecular Formula: C23H29N7O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.23
• IUPAC Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCCCC3)c2=O)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12
• InChI: InChI=1S/C23H29N7O4/c1-24-20-10-19(26-16-8-5-9-29(23(16)33)14-6-3-2-4-7-14)28-21-15(11-25-30(20)21)22(32)27-17-12-34-13-18(17)31/h5,8-11,14,17-18,24,31H,2-4,6-7,12-13H2,1H3,(H,26,28)(H,27,32)/t17-,18+/m1/s1
• InChIKey: BZRCBQCBTQQBST-MSOLQXFVSA-N
• XLogP: 1.67
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383443) is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCCCC3)c2=O)nc2c(C(=O)N[C@@H]3COC[C@@H]3O)cnn12.

What is the InChIKey of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BZRCBQCBTQQBST-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-24-20-10-19(26-16-8-5-9-29(23(16)33)14-6-3-2-4-7-14)28-21-15(11-25-30(20)21)22(32)27-17-12-34-13-18(17)31/h5,8-11,14,17-18,24,31H,2-4,6-7,12-13H2,1H3,(H,26,28)(H,27,32)/t17-,18+/m1/s1.

What are the key properties of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).