4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

C129H125ClF7N23O13S2 — CID 167706944

IUPAC4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESCC(=O)N1CCC(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(F)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.O=C(NCC1CC1)c1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cc1.O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C29H26FN5O2.C26H26F3N5O2.C26H23F2N5O.C24H25ClN4O4S.C24H25FN4O4S/c30-22-14-7-18(8-15-22)9-16-23-26(20-10-12-21(13-11-20)27(36)31-17-19-5-6-19)34-35(28(23)37)29-32-24-3-1-2-4-25(24)33-29;1-16(35)33-14-12-17(13-15-33)6-11-20-23(18-7-9-19(10-8-18)26(27,28)29)32-34(24(20)36)25-30-21-4-2-3-5-22(21)31-25;27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26;2*1-34(31,32)18-6-3-16(4-7-18)22-19(8-2-15-10-12-33-13-11-15)23(30)29(28-22)24-26-20-9-5-17(25)14-21(20)27-24/h1-4,7-8,10-15,19,34H,5-6,9,16-17H2,(H,31,36)(H,32,33);2-5,7-10,17,32H,6,11-15H2,1H3,(H,30,31);2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31);2*3-7,9,14-15,28H,2,8,10-13H2,1H3,(H,26,27)
InChIKeyKWWDNTPLWZNABS-UHFFFAOYSA-N
MW2438.14 g/mol
LogP22.10
Rot. Bonds33

About 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (PubChem CID 167706944) has the molecular formula C129H125ClF7N23O13S2 and a molecular weight of 2438.14 g/mol. Its IUPAC name is 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
PubChem CID167706944
Molecular FormulaC129H125ClF7N23O13S2
Molecular Weight2438.14 g/mol
Exact Mass2435.88
IUPAC Name4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESCC(=O)N1CCC(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(F)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.O=C(NCC1CC1)c1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cc1.O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C29H26FN5O2.C26H26F3N5O2.C26H23F2N5O.C24H25ClN4O4S.C24H25FN4O4S/c30-22-14-7-18(8-15-22)9-16-23-26(20-10-12-21(13-11-20)27(36)31-17-19-5-6-19)34-35(28(23)37)29-32-24-3-1-2-4-25(24)33-29;1-16(35)33-14-12-17(13-15-33)6-11-20-23(18-7-9-19(10-8-18)26(27,28)29)32-34(24(20)36)25-30-21-4-2-3-5-22(21)31-25;27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26;2*1-34(31,32)18-6-3-16(4-7-18)22-19(8-2-15-10-12-33-13-11-15)23(30)29(28-22)24-26-20-9-5-17(25)14-21(20)27-24/h1-4,7-8,10-15,19,34H,5-6,9,16-17H2,(H,31,36)(H,32,33);2-5,7-10,17,32H,6,11-15H2,1H3,(H,30,31);2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31);2*3-7,9,14-15,28H,2,8,10-13H2,1H3,(H,26,27)
InChIKeyKWWDNTPLWZNABS-UHFFFAOYSA-N
XLogP22.10
TPSA481.39 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.14
LogP ≤ 522.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
CID 167592530
2-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one
CID 167625604
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-one
CID 167676938
tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 167561370
4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]benzoic acid;2-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one
CID 167594421
4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one;5-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(oxan-4-yl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one
CID 167679040

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (CID 167706944) is 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is CC(=O)N1CCC(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.CS(=O)(=O)c1ccc(-c2[nH]n(-c3nc4ccc(F)cc4[nH]3)c(=O)c2CCC2CCOCC2)cc1.O=C(NCC1CC1)c1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cc1.O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1.
What is the InChIKey of 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The InChIKey is KWWDNTPLWZNABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2.C26H26F3N5O2.C26H23F2N5O.C24H25ClN4O4S.C24H25FN4O4S/c30-22-14-7-18(8-15-22)9-16-23-26(20-10-12-21(13-11-20)27(36)31-17-19-5-6-19)34-35(28(23)37)29-32-24-3-1-2-4-25(24)33-29;1-16(35)33-14-12-17(13-15-33)6-11-20-23(18-7-9-19(10-8-18)26(27,28)29)32-34(24(20)36)25-30-21-4-2-3-5-22(21)31-25;27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26;2*1-34(31,32)18-6-3-16(4-7-18)22-19(8-2-15-10-12-33-13-11-15)23(30)29(28-22)24-26-20-9-5-17(25)14-21(20)27-24/h1-4,7-8,10-15,19,34H,5-6,9,16-17H2,(H,31,36)(H,32,33);2-5,7-10,17,32H,6,11-15H2,1H3,(H,30,31);2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31);2*3-7,9,14-15,28H,2,8,10-13H2,1H3,(H,26,27).
What are the key properties of 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one has a molecular weight of 2438.14 g/mol, XLogP of 22.10, 33 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N-(cyclopropylmethyl)benzamide;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 167706944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).