2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C50H43ClF8N12O5 — CID 157491373

IUPAC2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(=O)[nH]1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1
InChIInChI=1S/C25H21ClF4N6O2.C25H22F4N6O3/c1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30;1-13-16(12-35(2)33-13)8-20-30-11-17(23(37)32-20)14-3-4-15(18(26)7-14)9-22(36)31-21-10-19(38-34-21)24(5-6-24)25(27,28)29/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,30,32,37)(H,31,34,36)
InChIKeyBXHVNFPNONQCRH-UHFFFAOYSA-N
MW1079.41 g/mol
LogP9.30
Rot. Bonds14

About 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157491373) has the molecular formula C50H43ClF8N12O5 and a molecular weight of 1079.41 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157491373
Molecular FormulaC50H43ClF8N12O5
Molecular Weight1079.41 g/mol
Exact Mass1078.30
IUPAC Name2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(=O)[nH]1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1
InChIInChI=1S/C25H21ClF4N6O2.C25H22F4N6O3/c1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30;1-13-16(12-35(2)33-13)8-20-30-11-17(23(37)32-20)14-3-4-15(18(26)7-14)9-22(36)31-21-10-19(38-34-21)24(5-6-24)25(27,28)29/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,30,32,37)(H,31,34,36)
InChIKeyBXHVNFPNONQCRH-UHFFFAOYSA-N
XLogP9.30
TPSA217.43 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.41
LogP ≤ 59.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Related Compounds

US12365685, Example T-7
CID 158959046
US12365685, Example T-8
CID 160500602
US12365685, Example T-10
CID 162198373
2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126503364
N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 126503367
N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide
CID 126504804
2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504812
2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504866
2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504881
2-[4-[2-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-ylamino)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504888
2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504895
2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157491373) is 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(=O)[nH]1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1.
What is the InChIKey of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is BXHVNFPNONQCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF4N6O2.C25H22F4N6O3/c1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30;1-13-16(12-35(2)33-13)8-20-30-11-17(23(37)32-20)14-3-4-15(18(26)7-14)9-22(36)31-21-10-19(38-34-21)24(5-6-24)25(27,28)29/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,30,32,37)(H,31,34,36).
What are the key properties of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 1079.41 g/mol, XLogP of 9.30, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157491373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).