[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

C92H102F9N9O9 — CID 160801930

IUPAC[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
SMILESC=C(C1CC(O)(C(F)(F)F)C1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.C=C(C1CCCCC1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)oc12
InChIInChI=1S/C32H38FN3O2.C31H33F4N3O3.C29H31F4N3O4/c1-21(22-8-6-5-7-9-22)35-16-17-36(31(2,3)20-35)30(37)28-19-27-29(38-28)25(32(4)14-15-32)18-26(34-27)23-10-12-24(33)13-11-23;1-18(20-15-30(40,16-20)31(33,34)35)37-11-12-38(28(2,3)17-37)27(39)25-14-24-26(41-25)22(29(4)9-10-29)13-23(36-24)19-5-7-21(32)8-6-19;1-16(2)20-11-21(17-5-7-19(30)8-6-17)34-22-12-23(40-24(20)22)26(38)36-10-9-35(15-27(36,3)4)25(37)18-13-28(39,14-18)29(31,32)33/h10-13,18-19,22H,1,5-9,14-17,20H2,2-4H3;5-8,13-14,20,40H,1,9-12,15-17H2,2-4H3;5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3
InChIKeySDELYWCWFHQKLW-UHFFFAOYSA-N
MW1648.86 g/mol
LogP19.28
Rot. Bonds14

About [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 160801930) has the molecular formula C92H102F9N9O9 and a molecular weight of 1648.86 g/mol. Its IUPAC name is [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
PubChem CID160801930
Molecular FormulaC92H102F9N9O9
Molecular Weight1648.86 g/mol
Exact Mass1647.77
IUPAC Name[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
SMILESC=C(C1CC(O)(C(F)(F)F)C1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.C=C(C1CCCCC1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)oc12
InChIInChI=1S/C32H38FN3O2.C31H33F4N3O3.C29H31F4N3O4/c1-21(22-8-6-5-7-9-22)35-16-17-36(31(2,3)20-35)30(37)28-19-27-29(38-28)25(32(4)14-15-32)18-26(34-27)23-10-12-24(33)13-11-23;1-18(20-15-30(40,16-20)31(33,34)35)37-11-12-38(28(2,3)17-37)27(39)25-14-24-26(41-25)22(29(4)9-10-29)13-23(36-24)19-5-7-21(32)8-6-19;1-16(2)20-11-21(17-5-7-19(30)8-6-17)34-22-12-23(40-24(20)22)26(38)36-10-9-35(15-27(36,3)4)25(37)18-13-28(39,14-18)29(31,32)33/h10-13,18-19,22H,1,5-9,14-17,20H2,2-4H3;5-8,13-14,20,40H,1,9-12,15-17H2,2-4H3;5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3
InChIKeySDELYWCWFHQKLW-UHFFFAOYSA-N
XLogP19.28
TPSA206.27 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001648.86
LogP ≤ 519.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(4-Chloro-3-fluorophenyl)-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-3,3-difluorocyclobutane-1-carbonitrile
CID 122573812
[4-[7-Tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 122573839
1-[4-[5-(4-Fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 122573853
4-[5-(4-Fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573855
1-[(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 122573888
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[(2S)-4-(1-hydroxycyclobutanecarbonyl)-2-methylpiperazin-1-yl]methanone
CID 122573945
[5-(4-Fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 122573954
[5-(4-Fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 122573981
(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid
CID 122573985
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[(2R)-4-(1-hydroxycyclobutanecarbonyl)-2-methylpiperazin-1-yl]methanone
CID 122573991
Tert-butyl 4-[7-cyclopropyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
CID 122574026
[4-[5-(4-Fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone
CID 122574039

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (CID 160801930) is [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is C=C(C1CC(O)(C(F)(F)F)C1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.C=C(C1CCCCC1)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)C(C)(C)C1.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)oc12.
What is the InChIKey of [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is SDELYWCWFHQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O2.C31H33F4N3O3.C29H31F4N3O4/c1-21(22-8-6-5-7-9-22)35-16-17-36(31(2,3)20-35)30(37)28-19-27-29(38-28)25(32(4)14-15-32)18-26(34-27)23-10-12-24(33)13-11-23;1-18(20-15-30(40,16-20)31(33,34)35)37-11-12-38(28(2,3)17-37)27(39)25-14-24-26(41-25)22(29(4)9-10-29)13-23(36-24)19-5-7-21(32)8-6-19;1-16(2)20-11-21(17-5-7-19(30)8-6-17)34-22-12-23(40-24(20)22)26(38)36-10-9-35(15-27(36,3)4)25(37)18-13-28(39,14-18)29(31,32)33/h10-13,18-19,22H,1,5-9,14-17,20H2,2-4H3;5-8,13-14,20,40H,1,9-12,15-17H2,2-4H3;5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3.
What are the key properties of [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?
[4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 1648.86 g/mol, XLogP of 19.28, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclohexylethenyl)-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-[1-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]ethenyl]-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 160801930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).