bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole

C92H89Cl2N9O4S — CID 159853250

IUPACbis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCCc1[nH]c2ccc(C)cc2c1-c1ccc(OC)nc1.CCc1c(-c2ccc(OC)nc2)c2cc(C)ccc2n1Cc1csc(-c2ccccc2)n1.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C27H25N3OS.2C24H23ClN2O.C17H18N2O/c1-4-23-26(20-11-13-25(31-3)28-15-20)22-14-18(2)10-12-24(22)30(23)16-21-17-32-27(29-21)19-8-6-5-7-9-19;2*1-4-21-24(17-10-12-23(28-3)26-14-17)19-11-9-16(2)13-22(19)27(21)15-18-7-5-6-8-20(18)25;1-4-14-17(12-6-8-16(20-3)18-10-12)13-9-11(2)5-7-15(13)19-14/h5-15,17H,4,16H2,1-3H3;2*5-14H,4,15H2,1-3H3;5-10,19H,4H2,1-3H3
InChIKeyNQFBFPZTVDGJHY-UHFFFAOYSA-N
MW1487.76 g/mol
LogP23.43
Rot. Bonds19

About bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole

bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 159853250) has the molecular formula C92H89Cl2N9O4S and a molecular weight of 1487.76 g/mol. Its IUPAC name is bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Namebis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID159853250
Molecular FormulaC92H89Cl2N9O4S
Molecular Weight1487.76 g/mol
Exact Mass1485.61
IUPAC Namebis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCCc1[nH]c2ccc(C)cc2c1-c1ccc(OC)nc1.CCc1c(-c2ccc(OC)nc2)c2cc(C)ccc2n1Cc1csc(-c2ccccc2)n1.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C27H25N3OS.2C24H23ClN2O.C17H18N2O/c1-4-23-26(20-11-13-25(31-3)28-15-20)22-14-18(2)10-12-24(22)30(23)16-21-17-32-27(29-21)19-8-6-5-7-9-19;2*1-4-21-24(17-10-12-23(28-3)26-14-17)19-11-9-16(2)13-22(19)27(21)15-18-7-5-6-8-20(18)25;1-4-14-17(12-6-8-16(20-3)18-10-12)13-9-11(2)5-7-15(13)19-14/h5-15,17H,4,16H2,1-3H3;2*5-14H,4,15H2,1-3H3;5-10,19H,4H2,1-3H3
InChIKeyNQFBFPZTVDGJHY-UHFFFAOYSA-N
XLogP23.43
TPSA131.95 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.76
LogP ≤ 523.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-4,5-dihydro-1,3-thiazole;4-[[3-(6-methoxy-3-pyridinyl)-5-methyl-2-[(2-phenyl-3H-pyrrol-5-yl)methoxymethyl]indol-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 158307922

Frequently Asked Questions

What is the IUPAC name of bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 159853250) is bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole is CCc1[nH]c2ccc(C)cc2c1-c1ccc(OC)nc1.CCc1c(-c2ccc(OC)nc2)c2cc(C)ccc2n1Cc1csc(-c2ccccc2)n1.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl.CCc1c(-c2ccc(OC)nc2)c2ccc(C)cc2n1Cc1ccccc1Cl.
What is the InChIKey of bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is NQFBFPZTVDGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3OS.2C24H23ClN2O.C17H18N2O/c1-4-23-26(20-11-13-25(31-3)28-15-20)22-14-18(2)10-12-24(22)30(23)16-21-17-32-27(29-21)19-8-6-5-7-9-19;2*1-4-21-24(17-10-12-23(28-3)26-14-17)19-11-9-16(2)13-22(19)27(21)15-18-7-5-6-8-20(18)25;1-4-14-17(12-6-8-16(20-3)18-10-12)13-9-11(2)5-7-15(13)19-14/h5-15,17H,4,16H2,1-3H3;2*5-14H,4,15H2,1-3H3;5-10,19H,4H2,1-3H3.
What are the key properties of bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole?
bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 1487.76 g/mol, XLogP of 23.43, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 159853250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).