2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C22H18ClN7O4 — CID 170944646

About 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944646) has the molecular formula C22H18ClN7O4 and a molecular weight of 479.88 g/mol. Its IUPAC name is 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944646
• Molecular Formula: C22H18ClN7O4
• Molecular Weight: 479.88 g/mol
• Exact Mass: 479.11
• IUPAC Name: 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: C[C@@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@@H](c1ccccc1Cl)n1nccc1C#N
• InChI: InChI=1S/C22H18ClN7O4/c1-12(18(15-5-3-4-6-16(15)23)30-14(9-24)7-8-25-30)20-28-17(19(31)22(33)29(20)2)21(32)27-13-10-26-34-11-13/h3-8,10-12,18,31H,1-2H3,(H,27,32)/t12-,18+/m1/s1
• InChIKey: CLZAYXWMQWBHDR-XIKOKIGWSA-N
• XLogP: 2.84
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.88
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944646) is 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is C[C@@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@@H](c1ccccc1Cl)n1nccc1C#N.

What is the InChIKey of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is CLZAYXWMQWBHDR-XIKOKIGWSA-N. The full InChI is InChI=1S/C22H18ClN7O4/c1-12(18(15-5-3-4-6-16(15)23)30-14(9-24)7-8-25-30)20-28-17(19(31)22(33)29(20)2)21(32)27-13-10-26-34-11-13/h3-8,10-12,18,31H,1-2H3,(H,27,32)/t12-,18+/m1/s1.

What are the key properties of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 479.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-cyanopyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).