3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C111H141F3N10O12 — CID 162098916

IUPAC3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCCN1CCC([C@@H](C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)[C@H](C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C29H38N2O3.C28H34F3N3O3.C27H35N3O3.C27H34N2O3/c1-6-30-15-13-22(14-16-30)20(3)31-21(4)29(23-9-7-8-10-25(23)31)26(32)12-11-24-27(33)17-19(2)18-28(24)34-5;1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h7-10,18,20,22H,6,11-17H2,1-5H3;6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t20-;17-,19-,25+;2*18-/m1111/s1
InChIKeyZEPQSBICXCTMNW-RERWGVANSA-N
MW1864.40 g/mol
LogP22.21
Rot. Bonds29

About 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 162098916) has the molecular formula C111H141F3N10O12 and a molecular weight of 1864.40 g/mol. Its IUPAC name is 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID162098916
Molecular FormulaC111H141F3N10O12
Molecular Weight1864.40 g/mol
Exact Mass1863.07
IUPAC Name3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCCN1CCC([C@@H](C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)[C@H](C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C29H38N2O3.C28H34F3N3O3.C27H35N3O3.C27H34N2O3/c1-6-30-15-13-22(14-16-30)20(3)31-21(4)29(23-9-7-8-10-25(23)31)26(32)12-11-24-27(33)17-19(2)18-28(24)34-5;1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h7-10,18,20,22H,6,11-17H2,1-5H3;6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t20-;17-,19-,25+;2*18-/m1111/s1
InChIKeyZEPQSBICXCTMNW-RERWGVANSA-N
XLogP22.21
TPSA250.29 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.40
LogP ≤ 522.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 162098916) is 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is CCN1CCC([C@@H](C)n2c(C)c(C(=O)CCC3=C(OC)C=C(C)CC3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCCCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)[C@H](C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is ZEPQSBICXCTMNW-RERWGVANSA-N. The full InChI is InChI=1S/C29H38N2O3.C28H34F3N3O3.C27H35N3O3.C27H34N2O3/c1-6-30-15-13-22(14-16-30)20(3)31-21(4)29(23-9-7-8-10-25(23)31)26(32)12-11-24-27(33)17-19(2)18-28(24)34-5;1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-17-16-25(33-5)22(27(32)28-17)10-11-24(31)26-19(3)30(23-9-7-6-8-21(23)26)18(2)20-12-14-29(4)15-13-20;1-17-16-25(32-4)22(27(31)28-17)14-15-24(30)26-19(3)29(23-13-9-8-12-21(23)26)18(2)20-10-6-5-7-11-20/h7-10,18,20,22H,6,11-17H2,1-5H3;6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);6-9,16,18,20H,10-15H2,1-5H3,(H,28,32);8-9,12-13,16,18,20H,5-7,10-11,14-15H2,1-4H3,(H,28,31)/t20-;17-,19-,25+;2*18-/m1111/s1.
What are the key properties of 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?
3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 1864.40 g/mol, XLogP of 22.21, 29 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;2-[3-[1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 162098916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).