4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C196H247ClFN25O3 — CID 162110631

IUPAC4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC.C.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12
InChIInChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.C11H13NO.2C11H13N.C10H11ClN2.4C10H12N2.3CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);4*3-7H,1-2H3,(H,11,12);3*1H4
InChIKeyZGCJFAGRIHDKEZ-UHFFFAOYSA-N
MW3055.75 g/mol
LogP55.99
Rot. Bonds17

About 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162110631) has the molecular formula C196H247ClFN25O3 and a molecular weight of 3055.75 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID162110631
Molecular FormulaC196H247ClFN25O3
Molecular Weight3055.75 g/mol
Exact Mass3052.96
IUPAC Name4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC.C.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12
InChIInChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.C11H13NO.2C11H13N.C10H11ClN2.4C10H12N2.3CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);4*3-7H,1-2H3,(H,11,12);3*1H4
InChIKeyZGCJFAGRIHDKEZ-UHFFFAOYSA-N
XLogP55.99
TPSA384.52 Ų
H-Bond Donors17
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003055.75
LogP ≤ 555.99
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158390937
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-2,3-dihydro-1H-inden-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157308177
3-chloro-5-propan-2-yl-1H-indole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 160570925
3-chloro-5-fluoro-4-propan-2-ylpyridine;3-chloro-5-methyl-4-propan-2-ylpyridine;3,5-dichloro-4-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one;4,6-dimethyl-5-propan-2-ylpyrimidine;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;methane;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;2,4,6-trimethyl-3-propan-2-ylpyridine;2,4,6-trimethyl-5-propan-2-ylpyrimidine
CID 161457286
4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)
CID 161620626
benzyl N-[(1R,2S,3S,5S)-8-[7-(4-chloro-2-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]carbamate;(1R,2S,3S,5S)-8-[7-(4-chloro-2-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-2-fluoro-8-azabicyclo[3.2.1]octan-3-amine
CID 161802333
tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine
CID 162223265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 162110631) is 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is C.C.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12.
What is the InChIKey of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZGCJFAGRIHDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.C11H13NO.2C11H13N.C10H11ClN2.4C10H12N2.3CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);4*3-7H,1-2H3,(H,11,12);3*1H4.
What are the key properties of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3055.75 g/mol, XLogP of 55.99, 17 rotatable bonds, 17 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162110631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).