5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate

C94H93F7N20O9 — CID 167612195

IUPAC5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2Cc2ccc(F)c(F)c2)CC1.CC(C)(C)OC(=O)NCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.O=C1CCCN1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=c1c(CCc2ccc(F)cc2)c(CN2CCOCC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23F2N5O2.C24H26FN5O3.C23H20F3N5O2.C23H24FN5O2/c1-14(32)30-10-8-16(9-11-30)22-17(12-15-6-7-18(25)19(26)13-15)23(33)31(29-22)24-27-20-4-2-3-5-21(20)28-24;1-24(2,3)33-23(32)26-14-20-17(13-10-15-8-11-16(25)12-9-15)21(31)30(29-20)22-27-18-6-4-5-7-19(18)28-22;24-23(25,26)15-9-7-14(8-10-15)20-16(11-13-30-12-3-6-19(30)32)21(33)31(29-20)22-27-17-4-1-2-5-18(17)28-22;24-17-8-5-16(6-9-17)7-10-18-21(15-28-11-13-31-14-12-28)27-29(22(18)30)23-25-19-3-1-2-4-20(19)26-23/h2-7,13,16,29H,8-12H2,1H3,(H,27,28);4-9,11-12,29H,10,13-14H2,1-3H3,(H,26,32)(H,27,28);1-2,4-5,7-10,29H,3,6,11-13H2,(H,27,28);1-6,8-9,27H,7,10-15H2,(H,25,26)
InChIKeyZAIHAPKMONZDKZ-UHFFFAOYSA-N
MW1779.89 g/mol
LogP14.32
Rot. Bonds21

About 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate

5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 167612195) has the molecular formula C94H93F7N20O9 and a molecular weight of 1779.89 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID167612195
Molecular FormulaC94H93F7N20O9
Molecular Weight1779.89 g/mol
Exact Mass1778.73
IUPAC Name5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2Cc2ccc(F)c(F)c2)CC1.CC(C)(C)OC(=O)NCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.O=C1CCCN1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=c1c(CCc2ccc(F)cc2)c(CN2CCOCC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23F2N5O2.C24H26FN5O3.C23H20F3N5O2.C23H24FN5O2/c1-14(32)30-10-8-16(9-11-30)22-17(12-15-6-7-18(25)19(26)13-15)23(33)31(29-22)24-27-20-4-2-3-5-21(20)28-24;1-24(2,3)33-23(32)26-14-20-17(13-10-15-8-11-16(25)12-9-15)21(31)30(29-20)22-27-18-6-4-5-7-19(18)28-22;24-23(25,26)15-9-7-14(8-10-15)20-16(11-13-30-12-3-6-19(30)32)21(33)31(29-20)22-27-17-4-1-2-5-18(17)28-22;24-17-8-5-16(6-9-17)7-10-18-21(15-28-11-13-31-14-12-28)27-29(22(18)30)23-25-19-3-1-2-4-20(19)26-23/h2-7,13,16,29H,8-12H2,1H3,(H,27,28);4-9,11-12,29H,10,13-14H2,1-3H3,(H,26,32)(H,27,28);1-2,4-5,7-10,29H,3,6,11-13H2,(H,27,28);1-6,8-9,27H,7,10-15H2,(H,25,26)
InChIKeyZAIHAPKMONZDKZ-UHFFFAOYSA-N
XLogP14.32
TPSA357.30 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.89
LogP ≤ 514.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-5-[1-[(2S,3R)-3-[[1-[2-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethyl]-2-hydroxypyrrolidin-3-yl]methyl]-2-hydroxypentanoyl]piperidin-4-yl]-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
CID 146569060
5-(1-acetylpiperidin-3-yl)-2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-morpholin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167533613
4-[(1-acetylpiperidin-4-yl)methyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-3-one;tert-butyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167548988
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-hydroxyethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167556535
4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]-1-phenylpiperazin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl 4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperazine-1-carboxylate
CID 167565516
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-pyrazol-3-one;tert-butyl 4-[2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167582108
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(piperidin-3-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-[2-(pyridin-4-ylmethoxy)acetyl]piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one
CID 167591255
4-[2-(1-acetylpiperidin-4-yl)ethyl]-2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]methyl]-1H-pyrazol-3-one
CID 167612511
2-(1H-benzimidazol-2-yl)-4-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl 4-[4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167616605
3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167625331
2-(1H-benzimidazol-2-yl)-4-(cyclopentylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-piperidin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 4-[2-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 167625988
4-[(1-acetylpiperidin-4-yl)methyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[4-[2-(4-fluorophenyl)ethyl]-2-(3H-indol-2-yl)-3-oxo-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide;2-methylpropyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;propan-2-yl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167626747

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate (CID 167612195) is 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate is CC(=O)N1CCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2Cc2ccc(F)c(F)c2)CC1.CC(C)(C)OC(=O)NCc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.O=C1CCCN1CCc1c(-c2ccc(C(F)(F)F)cc2)[nH]n(-c2nc3ccccc3[nH]2)c1=O.O=c1c(CCc2ccc(F)cc2)c(CN2CCOCC2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is ZAIHAPKMONZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2.C24H26FN5O3.C23H20F3N5O2.C23H24FN5O2/c1-14(32)30-10-8-16(9-11-30)22-17(12-15-6-7-18(25)19(26)13-15)23(33)31(29-22)24-27-20-4-2-3-5-21(20)28-24;1-24(2,3)33-23(32)26-14-20-17(13-10-15-8-11-16(25)12-9-15)21(31)30(29-20)22-27-18-6-4-5-7-19(18)28-22;24-23(25,26)15-9-7-14(8-10-15)20-16(11-13-30-12-3-6-19(30)32)21(33)31(29-20)22-27-17-4-1-2-5-18(17)28-22;24-17-8-5-16(6-9-17)7-10-18-21(15-28-11-13-31-14-12-28)27-29(22(18)30)23-25-19-3-1-2-4-20(19)26-23/h2-7,13,16,29H,8-12H2,1H3,(H,27,28);4-9,11-12,29H,10,13-14H2,1-3H3,(H,26,32)(H,27,28);1-2,4-5,7-10,29H,3,6,11-13H2,(H,27,28);1-6,8-9,27H,7,10-15H2,(H,25,26).
What are the key properties of 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate?
5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 1779.89 g/mol, XLogP of 14.32, 21 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 167612195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).