2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H24ClFN6O5 — CID 170944862

IUPAC2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCOCCn1cc([C@@H](c2cc(F)ccc2Cl)[C@@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H24ClFN6O5/c1-13(22-30-20(21(33)24(35)31(22)2)23(34)29-16-10-28-37-12-16)19(17-8-15(26)4-5-18(17)25)14-9-27-32(11-14)6-7-36-3/h4-5,8-13,19,33H,6-7H2,1-3H3,(H,29,34)/t13-,19+/m1/s1
InChIKeyHEGRLADMMDYDMK-YJYMSZOUSA-N
MW530.94 g/mol
LogP3.30
Rot. Bonds9

About 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944862) has the molecular formula C24H24ClFN6O5 and a molecular weight of 530.94 g/mol. Its IUPAC name is 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID170944862
Molecular FormulaC24H24ClFN6O5
Molecular Weight530.94 g/mol
Exact Mass530.15
IUPAC Name2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCOCCn1cc([C@@H](c2cc(F)ccc2Cl)[C@@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
InChIInChI=1S/C24H24ClFN6O5/c1-13(22-30-20(21(33)24(35)31(22)2)23(34)29-16-10-28-37-12-16)19(17-8-15(26)4-5-18(17)25)14-9-27-32(11-14)6-7-36-3/h4-5,8-13,19,33H,6-7H2,1-3H3,(H,29,34)/t13-,19+/m1/s1
InChIKeyHEGRLADMMDYDMK-YJYMSZOUSA-N
XLogP3.30
TPSA137.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.94
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide with MolForge

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Related Compounds

2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 166100229
2-[(1S,2R)-1-(2-cyano-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944753
2-[(1S,2S)-1-(2-cyano-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944548
2-[(1R,2S)-1-(2-cyano-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944687
2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944430
2-[(1S,2R)-1-(2-cyano-5-fluorophenyl)-1-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944905
2-[(1S,2S)-1-(2-chlorophenyl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944873
2-[(1S,2S)-1-(2-chloro-5-fluorophenyl)-1-(5-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944413
2-[1-(2-cyano-4-fluorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 166100193
2-[(1R,2S)-1-(2-chlorophenyl)-1-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944309
2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944355
2-[(1S,2S)-1-(4-chloro-2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944651

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-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-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944862) is 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-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-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-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-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is COCCn1cc([C@@H](c2cc(F)ccc2Cl)[C@@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1.
What is the InChIKey of 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is HEGRLADMMDYDMK-YJYMSZOUSA-N. The full InChI is InChI=1S/C24H24ClFN6O5/c1-13(22-30-20(21(33)24(35)31(22)2)23(34)29-16-10-28-37-12-16)19(17-8-15(26)4-5-18(17)25)14-9-27-32(11-14)6-7-36-3/h4-5,8-13,19,33H,6-7H2,1-3H3,(H,29,34)/t13-,19+/m1/s1.
What are the key properties of 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 530.94 g/mol, XLogP of 3.30, 9 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-chloro-5-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).