1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole

C75H82Cl5F2N11O4 — CID 158799508

IUPAC1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole
SMILESCC1(C)CCC(O)(c2cc(Cl)cc3[nH]ccc23)CC1.Clc1cc(C2CCOCC2)c2cc[nH]c2c1.Clc1cc(N2CCC(c3ncco3)CC2)c2cc[nH]c2c1.Nc1ccnn1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.OC1(c2cc(Cl)cc3[nH]ccc23)CCC(F)(F)CC1
InChIInChI=1S/C16H18ClN5.C16H16ClN3O.C16H20ClNO.C14H14ClF2NO.C13H14ClNO/c17-11-9-14-13(1-5-19-14)15(10-11)21-7-3-12(4-8-21)22-16(18)2-6-20-22;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16;1-15(2)4-6-16(19,7-5-15)13-9-11(17)10-14-12(13)3-8-18-14;15-9-7-11(10-1-6-18-12(10)8-9)13(19)2-4-14(16,17)5-3-13;14-10-7-12(9-2-5-16-6-3-9)11-1-4-15-13(11)8-10/h1-2,5-6,9-10,12,19H,3-4,7-8,18H2;1,4-5,8-11,18H,2-3,6-7H2;3,8-10,18-19H,4-7H2,1-2H3;1,6-8,18-19H,2-5H2;1,4,7-9,15H,2-3,5-6H2
InChIKeyITHLXKWAPOCXDJ-UHFFFAOYSA-N
MW1416.81 g/mol
LogP20.18
Rot. Bonds7

About 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole

1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole (PubChem CID 158799508) has the molecular formula C75H82Cl5F2N11O4 and a molecular weight of 1416.81 g/mol. Its IUPAC name is 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole.

Molecular Properties

Compound Name1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole
PubChem CID158799508
Molecular FormulaC75H82Cl5F2N11O4
Molecular Weight1416.81 g/mol
Exact Mass1413.50
IUPAC Name1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole
SMILESCC1(C)CCC(O)(c2cc(Cl)cc3[nH]ccc23)CC1.Clc1cc(C2CCOCC2)c2cc[nH]c2c1.Clc1cc(N2CCC(c3ncco3)CC2)c2cc[nH]c2c1.Nc1ccnn1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.OC1(c2cc(Cl)cc3[nH]ccc23)CCC(F)(F)CC1
InChIInChI=1S/C16H18ClN5.C16H16ClN3O.C16H20ClNO.C14H14ClF2NO.C13H14ClNO/c17-11-9-14-13(1-5-19-14)15(10-11)21-7-3-12(4-8-21)22-16(18)2-6-20-22;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16;1-15(2)4-6-16(19,7-5-15)13-9-11(17)10-14-12(13)3-8-18-14;15-9-7-11(10-1-6-18-12(10)8-9)13(19)2-4-14(16,17)5-3-13;14-10-7-12(9-2-5-16-6-3-9)11-1-4-15-13(11)8-10/h1-2,5-6,9-10,12,19H,3-4,7-8,18H2;1,4-5,8-11,18H,2-3,6-7H2;3,8-10,18-19H,4-7H2,1-2H3;1,6-8,18-19H,2-5H2;1,4,7-9,15H,2-3,5-6H2
InChIKeyITHLXKWAPOCXDJ-UHFFFAOYSA-N
XLogP20.18
TPSA204.99 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.81
LogP ≤ 520.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole with MolForge

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Related Compounds

1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-1H-indazole
CID 157603306
1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-oxazole;5-(6-chloro-1H-indazol-4-yl)-2,7,7-trimethyl-4,6-dihydro-[1,3]oxazolo[5,4-c]pyridine;6-chloro-4-(oxan-4-yl)-1H-indazole
CID 159413177
1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indazole
CID 159826822
N-[1-(6-chloro-1H-indazol-4-yl)azetidin-3-yl]methanesulfonamide;1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol;6-(6-chloro-1H-indazol-4-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrazol-3-amine
CID 161382775
1-(6-chloro-1H-indazol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrazol-3-amine
CID 161568232

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole?
The IUPAC name of 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole (CID 158799508) is 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole.
What is the SMILES notation for 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole?
The canonical SMILES for 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole is CC1(C)CCC(O)(c2cc(Cl)cc3[nH]ccc23)CC1.Clc1cc(C2CCOCC2)c2cc[nH]c2c1.Clc1cc(N2CCC(c3ncco3)CC2)c2cc[nH]c2c1.Nc1ccnn1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.OC1(c2cc(Cl)cc3[nH]ccc23)CCC(F)(F)CC1.
What is the InChIKey of 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole?
The InChIKey is ITHLXKWAPOCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5.C16H16ClN3O.C16H20ClNO.C14H14ClF2NO.C13H14ClNO/c17-11-9-14-13(1-5-19-14)15(10-11)21-7-3-12(4-8-21)22-16(18)2-6-20-22;17-12-9-14-13(1-4-18-14)15(10-12)20-6-2-11(3-7-20)16-19-5-8-21-16;1-15(2)4-6-16(19,7-5-15)13-9-11(17)10-14-12(13)3-8-18-14;15-9-7-11(10-1-6-18-12(10)8-9)13(19)2-4-14(16,17)5-3-13;14-10-7-12(9-2-5-16-6-3-9)11-1-4-15-13(11)8-10/h1-2,5-6,9-10,12,19H,3-4,7-8,18H2;1,4-5,8-11,18H,2-3,6-7H2;3,8-10,18-19H,4-7H2,1-2H3;1,6-8,18-19H,2-5H2;1,4,7-9,15H,2-3,5-6H2.
What are the key properties of 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole?
1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole has a molecular weight of 1416.81 g/mol, XLogP of 20.18, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indol-4-yl)-4,4-difluorocyclohexan-1-ol;1-(6-chloro-1H-indol-4-yl)-4,4-dimethylcyclohexan-1-ol;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-oxazole;2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]pyrazol-3-amine;6-chloro-4-(oxan-4-yl)-1H-indole is sourced from PubChem (CID 158799508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).