3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C102H124N14O — CID 160580532

IUPAC3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C14H16.2C13H15N.C11H14N2.C11H12O.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;2*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyRBSJPABNWVFBHN-UHFFFAOYSA-N
MW1562.21 g/mol
LogP27.15
Rot. Bonds6

About 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 160580532) has the molecular formula C102H124N14O and a molecular weight of 1562.21 g/mol. Its IUPAC name is 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID160580532
Molecular FormulaC102H124N14O
Molecular Weight1562.21 g/mol
Exact Mass1561.01
IUPAC Name3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C14H16.2C13H15N.C11H14N2.C11H12O.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;2*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyRBSJPABNWVFBHN-UHFFFAOYSA-N
XLogP27.15
TPSA230.60 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001562.21
LogP ≤ 527.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N'-[[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-1-yl]methyl]-N'-methylethane-1,2-diamine
CID 145664901
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol
CID 158564671
4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine);4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 159381408
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;methane
CID 160201090
1-(1,1-difluoroethyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinolin-4-ol;N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine;6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonitrile
CID 160303968
CID 160950855
CID 160950855
5-tert-butyl-1-benzofuran;3-tert-butyl-2H-indazole;1-tert-butylisoquinoline;1-tert-butylphthalazine;4-tert-butylquinazoline;2,2-dimethylpropylbenzene;(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzene
CID 161117204
1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 162110898
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
N-[3-[4-[4-[2-ethoxy-3-[4-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-(furan-3-yl)-2-methoxyphenyl]-3-(2-methylpyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049788
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 160580532) is 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]c(N)nc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.Cc1nc2c(C(C)C)cccc2[nH]1.
What is the InChIKey of 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RBSJPABNWVFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.2C13H15N.C11H14N2.C11H12O.2C10H13N3.C10H14N2.C10H12N2/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h4-10H,1-3H3;2*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3.
What are the key properties of 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 1562.21 g/mol, XLogP of 27.15, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylisoquinoline;2-tert-butylnaphthalene;3-tert-butylquinoline;2-methyl-4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-indazol-3-amine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 160580532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).