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

C25H27ClN6O5 — CID 170944873

IUPAC2-[(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
SMILESC[C@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@@H](c1cnn(CC(C)(C)O)c1)c1ccccc1Cl
InChIInChI=1S/C25H27ClN6O5/c1-14(22-30-20(21(33)24(35)31(22)4)23(34)29-16-10-28-37-12-16)19(17-7-5-6-8-18(17)26)15-9-27-32(11-15)13-25(2,3)36/h5-12,14,19,33,36H,13H2,1-4H3,(H,29,34)/t14-,19-/m0/s1
InChIKeyMQSNETPNPBYWLH-LIRRHRJNSA-N
MW526.98 g/mol
LogP3.28
Rot. Bonds8

About 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

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 (PubChem CID 170944873) has the molecular formula C25H27ClN6O5 and a molecular weight of 526.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID170944873
Molecular FormulaC25H27ClN6O5
Molecular Weight526.98 g/mol
Exact Mass526.17
IUPAC Name2-[(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
SMILESC[C@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@@H](c1cnn(CC(C)(C)O)c1)c1ccccc1Cl
InChIInChI=1S/C25H27ClN6O5/c1-14(22-30-20(21(33)24(35)31(22)4)23(34)29-16-10-28-37-12-16)19(17-7-5-6-8-18(17)26)15-9-27-32(11-15)13-25(2,3)36/h5-12,14,19,33,36H,13H2,1-4H3,(H,29,34)/t14-,19-/m0/s1
InChIKeyMQSNETPNPBYWLH-LIRRHRJNSA-N
XLogP3.28
TPSA148.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.98
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[(1S,2R)-1-(2-cyanophenyl)-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 170944512
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,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
2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944321
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-[(1R,2S)-1-(2-chlorophenyl)-1-phenylpropan-2-yl]-5-methoxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170945519
2-[(1S,2S)-1-(2-chlorophenyl)-1-(4-methylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944758
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
2-[(1R,2S)-1-(2-cyanophenyl)-1-[1-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944356
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
2-[(1R,2S)-1-(2-cyanophenyl)-1-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 170944715

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@@H](c1cnn(CC(C)(C)O)c1)c1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is MQSNETPNPBYWLH-LIRRHRJNSA-N. The full InChI is InChI=1S/C25H27ClN6O5/c1-14(22-30-20(21(33)24(35)31(22)4)23(34)29-16-10-28-37-12-16)19(17-7-5-6-8-18(17)26)15-9-27-32(11-15)13-25(2,3)36/h5-12,14,19,33,36H,13H2,1-4H3,(H,29,34)/t14-,19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 526.98 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170944873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).