N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C20H23N5O3 — CID 172666834

About N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 172666834) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172666834
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(C)n2nc(NC(=O)c3c(C)ccn(CC4CCCO4)c3=O)cc2n1
• InChI: InChI=1S/C20H23N5O3/c1-12-6-7-24(11-15-5-4-8-28-15)20(27)18(12)19(26)22-16-10-17-21-13(2)9-14(3)25(17)23-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,22,23,26)
• InChIKey: LLWCVDMRBQVHOG-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 172666834) is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(C)n2nc(NC(=O)c3c(C)ccn(CC4CCCO4)c3=O)cc2n1.

What is the InChIKey of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The InChIKey is LLWCVDMRBQVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-6-7-24(11-15-5-4-8-28-15)20(27)18(12)19(26)22-16-10-17-21-13(2)9-14(3)25(17)23-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,22,23,26).

What are the key properties of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172666834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).