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

C23H21N7O4 — CID 170944444

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

2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944444) has the molecular formula C23H21N7O4 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944444
• Molecular Formula: C23H21N7O4
• Molecular Weight: 459.47 g/mol
• Exact Mass: 459.17
• IUPAC Name: 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1ccnn1[C@@H](c1ccccc1C#N)[C@@H](C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C
• InChI: InChI=1S/C23H21N7O4/c1-13-8-9-25-30(13)19(17-7-5-4-6-15(17)10-24)14(2)21-28-18(20(31)23(33)29(21)3)22(32)27-16-11-26-34-12-16/h4-9,11-12,14,19,31H,1-3H3,(H,27,32)/t14-,19-/m1/s1
• InChIKey: PXAOXHAWBVZBJJ-AUUYWEPGSA-N
• XLogP: 2.50
• 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	459.47
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944444) is 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-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-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1ccnn1[C@@H](c1ccccc1C#N)[C@@H](C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C.

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

The InChIKey is PXAOXHAWBVZBJJ-AUUYWEPGSA-N. The full InChI is InChI=1S/C23H21N7O4/c1-13-8-9-25-30(13)19(17-7-5-4-6-15(17)10-24)14(2)21-28-18(20(31)23(33)29(21)3)22(32)27-16-11-26-34-12-16/h4-9,11-12,14,19,31H,1-3H3,(H,27,32)/t14-,19-/m1/s1.

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

2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R)-1-(2-cyanophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).