N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N8O3 — CID 70496975

About N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496975) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70496975
• Molecular Formula: C23H22N8O3
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.18
• IUPAC Name: N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(C#N)cc1-c1nn(CC(=O)NC(C)C)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C23H22N8O3/c1-14(2)27-20(32)13-30-12-18(21(29-30)16-9-15(10-24)5-6-19(16)34-3)28-23(33)17-11-26-31-8-4-7-25-22(17)31/h4-9,11-12,14H,13H2,1-3H3,(H,27,32)(H,28,33)
• InChIKey: OXZIPKMGAUEQBI-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 139.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496975) is N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C#N)cc1-c1nn(CC(=O)NC(C)C)cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OXZIPKMGAUEQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-14(2)27-20(32)13-30-12-18(21(29-30)16-9-15(10-24)5-6-19(16)34-3)28-23(33)17-11-26-31-8-4-7-25-22(17)31/h4-9,11-12,14H,13H2,1-3H3,(H,27,32)(H,28,33).

What are the key properties of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).