2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one

C83H80F6N18O5 — CID 167596484

IUPAC2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one
SMILESO=C(Cc1ccncc1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=C(c1cnccn1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=c1c(CCc2ccc(F)cc2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H29FN6O2.C28H26FN7O2.C25H25F4N5O/c31-23-10-7-20(8-11-23)9-12-24-28(35-37(29(24)39)30-33-25-5-1-2-6-26(25)34-30)22-4-3-17-36(19-22)27(38)18-21-13-15-32-16-14-21;29-20-10-7-18(8-11-20)9-12-21-25(19-4-3-15-35(17-19)27(38)24-16-30-13-14-31-24)34-36(26(21)37)28-32-22-5-1-2-6-23(22)33-28;26-18-8-5-16(6-9-18)7-10-19-22(17-11-13-33(14-12-17)15-25(27,28)29)32-34(23(19)35)24-30-20-3-1-2-4-21(20)31-24/h1-2,5-8,10-11,13-16,22,35H,3-4,9,12,17-19H2,(H,33,34);1-2,5-8,10-11,13-14,16,19,34H,3-4,9,12,15,17H2,(H,32,33);1-6,8-9,17,32H,7,10-15H2,(H,30,31)
InChIKeyMAPMKXDBKUODAB-UHFFFAOYSA-N
MW1523.66 g/mol
LogP12.79
Rot. Bonds19

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one (PubChem CID 167596484) has the molecular formula C83H80F6N18O5 and a molecular weight of 1523.66 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one
PubChem CID167596484
Molecular FormulaC83H80F6N18O5
Molecular Weight1523.66 g/mol
Exact Mass1522.65
IUPAC Name2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one
SMILESO=C(Cc1ccncc1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=C(c1cnccn1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=c1c(CCc2ccc(F)cc2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C30H29FN6O2.C28H26FN7O2.C25H25F4N5O/c31-23-10-7-20(8-11-23)9-12-24-28(35-37(29(24)39)30-33-25-5-1-2-6-26(25)34-30)22-4-3-17-36(19-22)27(38)18-21-13-15-32-16-14-21;29-20-10-7-18(8-11-20)9-12-21-25(19-4-3-15-35(17-19)27(38)24-16-30-13-14-31-24)34-36(26(21)37)28-32-22-5-1-2-6-23(22)33-28;26-18-8-5-16(6-9-18)7-10-19-22(17-11-13-33(14-12-17)15-25(27,28)29)32-34(23(19)35)24-30-20-3-1-2-4-21(20)31-24/h1-2,5-8,10-11,13-16,22,35H,3-4,9,12,17-19H2,(H,33,34);1-2,5-8,10-11,13-14,16,19,34H,3-4,9,12,15,17H2,(H,32,33);1-6,8-9,17,32H,7,10-15H2,(H,30,31)
InChIKeyMAPMKXDBKUODAB-UHFFFAOYSA-N
XLogP12.79
TPSA281.94 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001523.66
LogP ≤ 512.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazol-3-one
CID 155924954
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazol-3-one
CID 146569118
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-methyl-1-[2-(pyridin-4-ylmethoxy)acetyl]piperidin-4-yl]-1H-pyrazol-3-one
CID 155925324
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-[(2S,3S)-2-hydroxy-3-methylpentanoyl]piperidin-4-yl]-1H-pyrazol-3-one
CID 166041629
tert-butyl 6-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 163201709
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(2,4,6-trihydroxybenzoyl)cyclohexyl]-1H-pyrazol-3-one
CID 155925584
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-morpholin-4-ylacetyl)pyrrolidin-2-yl]-1H-pyrazol-3-one
CID 167562597
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one
CID 155924542

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one (CID 167596484) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one is O=C(Cc1ccncc1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=C(c1cnccn1)N1CCCC(c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=c1c(CCc2ccc(F)cc2)c(C2CCN(CC(F)(F)F)CC2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one?
The InChIKey is MAPMKXDBKUODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O2.C28H26FN7O2.C25H25F4N5O/c31-23-10-7-20(8-11-23)9-12-24-28(35-37(29(24)39)30-33-25-5-1-2-6-26(25)34-30)22-4-3-17-36(19-22)27(38)18-21-13-15-32-16-14-21;29-20-10-7-18(8-11-20)9-12-21-25(19-4-3-15-35(17-19)27(38)24-16-30-13-14-31-24)34-36(26(21)37)28-32-22-5-1-2-6-23(22)33-28;26-18-8-5-16(6-9-18)7-10-19-22(17-11-13-33(14-12-17)15-25(27,28)29)32-34(23(19)35)24-30-20-3-1-2-4-21(20)31-24/h1-2,5-8,10-11,13-16,22,35H,3-4,9,12,17-19H2,(H,33,34);1-2,5-8,10-11,13-14,16,19,34H,3-4,9,12,15,17H2,(H,32,33);1-6,8-9,17,32H,7,10-15H2,(H,30,31).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one has a molecular weight of 1523.66 g/mol, XLogP of 12.79, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 167596484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).