4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate

C121H147ClN14O3S — CID 165075239

IUPAC4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
SMILESCC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C14H17NO2.C13H17NO.C13H17N.C12H14ClN/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3
InChIKeyUEWBLWOTPFOHGO-UHFFFAOYSA-N
MW1913.12 g/mol
LogP31.64
Rot. Bonds6

About 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate

4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate (PubChem CID 165075239) has the molecular formula C121H147ClN14O3S and a molecular weight of 1913.12 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate.

Molecular Properties

Compound Name4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
PubChem CID165075239
Molecular FormulaC121H147ClN14O3S
Molecular Weight1913.12 g/mol
Exact Mass1911.12
IUPAC Name4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
SMILESCC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C14H17NO2.C13H17NO.C13H17N.C12H14ClN/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3
InChIKeyUEWBLWOTPFOHGO-UHFFFAOYSA-N
XLogP31.64
TPSA204.92 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.12
LogP ≤ 531.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;3-tert-butyl-2-methyl-6-(1-methylpyrrol-3-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 158088704
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 158383924
4-tert-butyl-7-chloro-1H-indole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-3a,7a-dihydro-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 160947105
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 163657678
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 165107900

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The IUPAC name of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate (CID 165075239) is 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate.
What is the SMILES notation for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The canonical SMILES for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate is CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1.
What is the InChIKey of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The InChIKey is UEWBLWOTPFOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C14H17NO2.C13H17NO.C13H17N.C12H14ClN/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3.
What are the key properties of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate?
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate has a molecular weight of 1913.12 g/mol, XLogP of 31.64, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate is sourced from PubChem (CID 165075239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).