5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one

C53H42F5N19O4 — CID 158027398

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one
SMILESCC(C)=O.Cc1cc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)no1.Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ccn[nH]1.O=c1[nH]c(-c2cc(-c3nn[nH]n3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C18H13F2N5O2.C17H13FN6.C15H10F2N8O.C3H6O/c1-10-6-14(24-27-10)16-7-15(17-21-8-13(20)18(26)22-17)23-25(16)9-11-4-2-3-5-12(11)19;18-13-5-2-1-4-12(13)11-24-16(14-6-9-21-22-14)10-15(23-24)17-19-7-3-8-20-17;16-9-4-2-1-3-8(9)7-25-12(14-20-23-24-21-14)5-11(22-25)13-18-6-10(17)15(26)19-13;1-3(2)4/h2-8H,9H2,1H3,(H,21,22,26);1-10H,11H2,(H,21,22);1-6H,7H2,(H,18,19,26)(H,20,21,23,24);1-2H3
InChIKeyFGTMUQZNODHIMD-UHFFFAOYSA-N
MW1104.04 g/mol
LogP7.58
Rot. Bonds12

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one (PubChem CID 158027398) has the molecular formula C53H42F5N19O4 and a molecular weight of 1104.04 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one
PubChem CID158027398
Molecular FormulaC53H42F5N19O4
Molecular Weight1104.04 g/mol
Exact Mass1103.36
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one
SMILESCC(C)=O.Cc1cc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)no1.Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ccn[nH]1.O=c1[nH]c(-c2cc(-c3nn[nH]n3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C18H13F2N5O2.C17H13FN6.C15H10F2N8O.C3H6O/c1-10-6-14(24-27-10)16-7-15(17-21-8-13(20)18(26)22-17)23-25(16)9-11-4-2-3-5-12(11)19;18-13-5-2-1-4-12(13)11-24-16(14-6-9-21-22-14)10-15(23-24)17-19-7-3-8-20-17;16-9-4-2-1-3-8(9)7-25-12(14-20-23-24-21-14)5-11(22-25)13-18-6-10(17)15(26)19-13;1-3(2)4/h2-8H,9H2,1H3,(H,21,22,26);1-10H,11H2,(H,21,22);1-6H,7H2,(H,18,19,26)(H,20,21,23,24);1-2H3
InChIKeyFGTMUQZNODHIMD-UHFFFAOYSA-N
XLogP7.58
TPSA296.98 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.04
LogP ≤ 57.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one with MolForge

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Related Compounds

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 90445824
5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
CID 90446028
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 90446289
3-[2-[(2-Fluorophenyl)methyl]-5-[5-fluoro-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-2-yl]pyrazol-3-yl]-1,2-oxazole
CID 118233447
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 68111999
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 117077954
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
CID 71621575
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrazole-5-carboxamide
CID 71621576
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine
CID 86268352
N-[6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetamide
CID 89671941
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[(1R)-2-methyl-1-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
CID 90446124
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-pyrazolidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446407

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one (CID 158027398) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one is CC(C)=O.Cc1cc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)no1.Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ccn[nH]1.O=c1[nH]c(-c2cc(-c3nn[nH]n3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one?
The InChIKey is FGTMUQZNODHIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2.C17H13FN6.C15H10F2N8O.C3H6O/c1-10-6-14(24-27-10)16-7-15(17-21-8-13(20)18(26)22-17)23-25(16)9-11-4-2-3-5-12(11)19;18-13-5-2-1-4-12(13)11-24-16(14-6-9-21-22-14)10-15(23-24)17-19-7-3-8-20-17;16-9-4-2-1-3-8(9)7-25-12(14-20-23-24-21-14)5-11(22-25)13-18-6-10(17)15(26)19-13;1-3(2)4/h2-8H,9H2,1H3,(H,21,22,26);1-10H,11H2,(H,21,22);1-6H,7H2,(H,18,19,26)(H,20,21,23,24);1-2H3.
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one has a molecular weight of 1104.04 g/mol, XLogP of 7.58, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(5-methyl-1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1H-pyrazol-5-yl)pyrazol-3-yl]pyrimidine;propan-2-one is sourced from PubChem (CID 158027398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).