8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline

C280H327ClFN37O — CID 159175642

IUPAC8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline
SMILESCC(C)c1ccc(Cl)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc2c(C(C)C)cccc2n1.Cc1ccnc2cccc(C(C)C)c12.Cc1cnc2cccc(C(C)C)c2c1.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/C15H19NO.4C13H15N.C12H12ClN.C12H12FN.C12H15N.5C12H13N.6C11H14N2.2C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)12-6-4-5-11-8-14-7-10(3)13(11)12;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;1-9(2)11-5-4-6-12-13(11)10(3)7-8-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*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;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h5-11H,1-4H3;4*4-9H,1-3H3;2*3-8H,1-2H3;4-9H,1-3H3;5*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyKMFVWNWLFHMSCJ-UHFFFAOYSA-N
MW4281.40 g/mol
LogP74.59
Rot. Bonds25

About 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline

8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline (PubChem CID 159175642) has the molecular formula C280H327ClFN37O and a molecular weight of 4281.40 g/mol. Its IUPAC name is 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline.

Molecular Properties

Compound Name8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline
PubChem CID159175642
Molecular FormulaC280H327ClFN37O
Molecular Weight4281.40 g/mol
Exact Mass4277.63
IUPAC Name8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline
SMILESCC(C)c1ccc(Cl)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc2c(C(C)C)cccc2n1.Cc1ccnc2cccc(C(C)C)c12.Cc1cnc2cccc(C(C)C)c2c1.Cc1cncc2cccc(C(C)C)c12
InChIInChI=1S/C15H19NO.4C13H15N.C12H12ClN.C12H12FN.C12H15N.5C12H13N.6C11H14N2.2C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)12-6-4-5-11-8-14-7-10(3)13(11)12;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;1-9(2)11-5-4-6-12-13(11)10(3)7-8-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*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;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h5-11H,1-4H3;4*4-9H,1-3H3;2*3-8H,1-2H3;4-9H,1-3H3;5*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyKMFVWNWLFHMSCJ-UHFFFAOYSA-N
XLogP74.59
TPSA427.64 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004281.40
LogP ≤ 574.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

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CID 90409431
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N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157055397
5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
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(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
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(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-methyl-2H-indazol-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-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188127
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,6-dichlorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
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1-(1,1-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluorobutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine;N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 157684937
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-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;(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 157805183
1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine;1-(difluoromethyl)-N-(1H-indazol-3-yl)isoquinolin-6-amine;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-(2-fluoropropan-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 157972714
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 158196289

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The IUPAC name of 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline (CID 159175642) is 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline.
What is the SMILES notation for 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The canonical SMILES for 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline is CC(C)c1ccc(Cl)c2cnccc12.CC(C)c1ccc(F)c2ncccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc2c(C(C)C)cccc2n1.Cc1ccnc2cccc(C(C)C)c12.Cc1cnc2cccc(C(C)C)c2c1.Cc1cncc2cccc(C(C)C)c12.
What is the InChIKey of 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
The InChIKey is KMFVWNWLFHMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.4C13H15N.C12H12ClN.C12H12FN.C12H15N.5C12H13N.6C11H14N2.2C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)12-6-4-5-11-8-14-7-10(3)13(11)12;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;1-9(2)11-5-4-6-12-13(11)10(3)7-8-14-12;1-8(2)9-3-4-12(13)11-7-14-6-5-10(9)11;1-8(2)9-5-6-11(13)12-10(9)4-3-7-14-12;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*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;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h5-11H,1-4H3;4*4-9H,1-3H3;2*3-8H,1-2H3;4-9H,1-3H3;5*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3.
What are the key properties of 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline?
8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline has a molecular weight of 4281.40 g/mol, XLogP of 74.59, 25 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline is sourced from PubChem (CID 159175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).