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

C22H20ClN7O5 — CID 170944558

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

2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944558) has the molecular formula C22H20ClN7O5 and a molecular weight of 497.90 g/mol. Its IUPAC name is 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944558
• Molecular Formula: C22H20ClN7O5
• Molecular Weight: 497.90 g/mol
• Exact Mass: 497.12
• IUPAC Name: 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)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)=O
• InChI: InChI=1S/C22H20ClN7O5/c1-11(17(13-5-3-4-6-14(13)23)30-15(19(24)32)7-8-25-30)20-28-16(18(31)22(34)29(20)2)21(33)27-12-9-26-35-10-12/h3-11,17,31H,1-2H3,(H2,24,32)(H,27,33)/t11-,17+/m0/s1
• InChIKey: USPPZYZLTDQGKJ-APPDUMDISA-N
• XLogP: 2.07
• TPSA: 171.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.90
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944558) is 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

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

The canonical SMILES for 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)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)=O.

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

The InChIKey is USPPZYZLTDQGKJ-APPDUMDISA-N. The full InChI is InChI=1S/C22H20ClN7O5/c1-11(17(13-5-3-4-6-14(13)23)30-15(19(24)32)7-8-25-30)20-28-16(18(31)22(34)29(20)2)21(33)27-12-9-26-35-10-12/h3-11,17,31H,1-2H3,(H2,24,32)(H,27,33)/t11-,17+/m0/s1.

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

2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 497.90 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2S)-1-(5-carbamoylpyrazol-1-yl)-1-(2-chlorophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).