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

C23H23ClN6O4 — CID 170944917

IUPAC2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCCc1cnn([C@@H](c2ccccc2Cl)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c1
InChIInChI=1S/C23H23ClN6O4/c1-4-14-9-25-30(11-14)19(16-7-5-6-8-17(16)24)13(2)21-28-18(20(31)23(33)29(21)3)22(32)27-15-10-26-34-12-15/h5-13,19,31H,4H2,1-3H3,(H,27,32)/t13-,19+/m0/s1
InChIKeyGNFKYWXSECOEOZ-ORAYPTAESA-N
MW482.93 g/mol
LogP3.53
Rot. Bonds7

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

2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944917) has the molecular formula C23H23ClN6O4 and a molecular weight of 482.93 g/mol. Its IUPAC name is 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID170944917
Molecular FormulaC23H23ClN6O4
Molecular Weight482.93 g/mol
Exact Mass482.15
IUPAC Name2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCCc1cnn([C@@H](c2ccccc2Cl)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c1
InChIInChI=1S/C23H23ClN6O4/c1-4-14-9-25-30(11-14)19(16-7-5-6-8-17(16)24)13(2)21-28-18(20(31)23(33)29(21)3)22(32)27-15-10-26-34-12-15/h5-13,19,31H,4H2,1-3H3,(H,27,32)/t13-,19+/m0/s1
InChIKeyGNFKYWXSECOEOZ-ORAYPTAESA-N
XLogP3.53
TPSA128.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-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,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944917) is 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-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,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-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,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CCc1cnn([C@@H](c2ccccc2Cl)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c1.
What is the InChIKey of 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is GNFKYWXSECOEOZ-ORAYPTAESA-N. The full InChI is InChI=1S/C23H23ClN6O4/c1-4-14-9-25-30(11-14)19(16-7-5-6-8-17(16)24)13(2)21-28-18(20(31)23(33)29(21)3)22(32)27-15-10-26-34-12-15/h5-13,19,31H,4H2,1-3H3,(H,27,32)/t13-,19+/m0/s1.
What are the key properties of 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 482.93 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-(2-chlorophenyl)-1-(4-ethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).