4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C231H289Cl3N36O4 — CID 158228086

IUPAC4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2c1Cl.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ncc12
InChIInChI=1S/C14H20N2.C14H19N.C13H19N.C12H13N.3C12H17N.C11H12ClN.2C11H14N2.C11H11NO2.2C11H13NO.C11H13N.2C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-4-8-10(9(7)11)13-5-12-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;2*3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyGEAWUJQAIGNKPP-UHFFFAOYSA-N
MW3740.46 g/mol
LogP56.20
Rot. Bonds23

About 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 158228086) has the molecular formula C231H289Cl3N36O4 and a molecular weight of 3740.46 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID158228086
Molecular FormulaC231H289Cl3N36O4
Molecular Weight3740.46 g/mol
Exact Mass3736.26
IUPAC Name4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2c1Cl.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ncc12
InChIInChI=1S/C14H20N2.C14H19N.C13H19N.C12H13N.3C12H17N.C11H12ClN.2C11H14N2.C11H11NO2.2C11H13NO.C11H13N.2C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-4-8-10(9(7)11)13-5-12-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;2*3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyGEAWUJQAIGNKPP-UHFFFAOYSA-N
XLogP56.20
TPSA532.87 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003740.46
LogP ≤ 556.20
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158202177
6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158781415
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 161837262
6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 163647076
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163948948
5-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-4-chloro-3,3-difluoro-1-methylindol-2-one;[(1S,6R,7R)-3-[3-(7-chloro-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine;[(1S,6R,7R)-3-[3-(7-chloro-2-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 170430292
3,4-diamino-2-[4-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chlorophenyl]-4-[(1S,6R,7R)-3-[3-(4-chloro-1-methylbenzimidazol-5-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]-3-[(1S,6R,7R)-3-[3-(3,5-difluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]butanamide
CID 170430337
5-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-4-chloro-3,3-difluoro-1-methylindol-2-one;[(1S,6R,7R)-3-[3-(7-chloro-2-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 170430445
5-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-6-chloro-1-[1,2-diamino-1-[(1S,6R,7R)-3-[3-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]-2-[(1S,6R,7R)-7-(2-fluorophenyl)-3-[3-(8-fluoroquinolin-5-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]ethyl]indole-2,3-dione
CID 170430510
1-[2-chloro-5-[9-[[4-[[1-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171485045
CID 157093604
CID 157093604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 158228086) is 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1cc(Cl)c2c(c1)N=CC2.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2c1Cl.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncc2[nH]cnc2n1.Cc1cc(C(C)C)cc2[nH]ncc12.
What is the InChIKey of 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GEAWUJQAIGNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H19N.C13H19N.C12H13N.3C12H17N.C11H12ClN.2C11H14N2.C11H11NO2.2C11H13NO.C11H13N.2C10H11ClN2.C10H12N2.3C9H11N3.C8H10N4/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)8-5-10(12)9-3-4-13-11(9)6-8;1-7(2)9-4-8(3)10-6-12-13-11(10)5-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-4-8-10(9(7)11)13-5-12-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)7-9-3-6-8(12-7)11-4-10-6/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-6,8,10,14H,3-4,7,9H2,1-2H3;3-9H,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;4-7H,3H2,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,6-8H,5H2,1-2H3;2*3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3740.46 g/mol, XLogP of 56.20, 23 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158228086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).