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

C23H31N7O3 — CID 137449798

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

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449798) has the molecular formula C23H31N7O3 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449798
• Molecular Formula: C23H31N7O3
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.25
• IUPAC Name: 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCCCC3)c2=O)nc2c(C(=O)NC[C@@H](C)CO)cnn12
• InChI: InChI=1S/C23H31N7O3/c1-15(14-31)12-25-22(32)17-13-26-30-20(24-2)11-19(28-21(17)30)27-18-9-6-10-29(23(18)33)16-7-4-3-5-8-16/h6,9-11,13,15-16,24,31H,3-5,7-8,12,14H2,1-2H3,(H,25,32)(H,27,28)/t15-/m1/s1
• InChIKey: LSEPKKAGBZSUAW-OAHLLOKOSA-N
• XLogP: 2.54
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449798) is 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

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

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

The InChIKey is LSEPKKAGBZSUAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H31N7O3/c1-15(14-31)12-25-22(32)17-13-26-30-20(24-2)11-19(28-21(17)30)27-18-9-6-10-29(23(18)33)16-7-4-3-5-8-16/h6,9-11,13,15-16,24,31H,3-5,7-8,12,14H2,1-2H3,(H,25,32)(H,27,28)/t15-/m1/s1.

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

5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).