1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C152H198ClN27O4 — CID 158582124

IUPAC1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCOC(C)(c2ccc(Cl)cc2)C1.CC(C)N1CCOC(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCO[C@H](c2ccc3c(cnn3C)c2)C1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C2(C)CN(C(C)C)CCO2)cc1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12
InChIInChI=1S/2C18H20N2.C15H18N4.2C15H21N3O.C15H23NO.C14H20ClNO.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;2*1-11(2)18-6-7-19-15(10-18)12-4-5-14-13(8-12)9-16-17(14)3;1-12(2)16-9-10-17-15(4,11-16)14-7-5-13(3)6-8-14;1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-10H,1-4H3;2*4-5,8-9,11,15H,6-7,10H2,1-3H3;5-8,12H,9-11H2,1-4H3;4-7,11H,8-10H2,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3/t;;;15-;;;;;;;/m...0......./s1
InChIKeyHTJNBYVFNUEZKF-NPGLFJIESA-N
MW2502.89 g/mol
LogP32.58
Rot. Bonds20

About 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158582124) has the molecular formula C152H198ClN27O4 and a molecular weight of 2502.89 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158582124
Molecular FormulaC152H198ClN27O4
Molecular Weight2502.89 g/mol
Exact Mass2500.58
IUPAC Name1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCOC(C)(c2ccc(Cl)cc2)C1.CC(C)N1CCOC(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCO[C@H](c2ccc3c(cnn3C)c2)C1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C2(C)CN(C(C)C)CCO2)cc1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12
InChIInChI=1S/2C18H20N2.C15H18N4.2C15H21N3O.C15H23NO.C14H20ClNO.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;2*1-11(2)18-6-7-19-15(10-18)12-4-5-14-13(8-12)9-16-17(14)3;1-12(2)16-9-10-17-15(4,11-16)14-7-5-13(3)6-8-14;1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-10H,1-4H3;2*4-5,8-9,11,15H,6-7,10H2,1-3H3;5-8,12H,9-11H2,1-4H3;4-7,11H,8-10H2,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3/t;;;15-;;;;;;;/m...0......./s1
InChIKeyHTJNBYVFNUEZKF-NPGLFJIESA-N
XLogP32.58
TPSA265.19 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002502.89
LogP ≤ 532.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

1-(4-Chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-(4,4-difluoropiperidin-1-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazine;1-(4-chlorophenyl)-3-(oxolan-3-yl)imidazo[1,5-a]pyrazine;1-(2,4-dimethylphenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(2-fluoro-4-methylphenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine;1-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
CID 159137985
10-tert-butyl-8-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole;3-tert-butyl-5-chloro-4-fluoro-1-methylindazole;3-tert-butyl-5-chloro-6-fluoro-1-methylindazole;3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-chloro-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-5,6-difluoro-1-methylindazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)indazole;3-tert-butyl-1-methyl-6-(trifluoromethyl)indazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolo[5,4-b]pyridine;methane
CID 160218478
4-[6-[4-(4-Ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 157055910
[4-Chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 157643128
(4-Chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-imidazol-1-ylmethyl]imidazo[1,2-a]quinoline;7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]quinoline;(4-chlorophenyl)-(3-methylimidazol-4-yl)-(5-phenylimidazo[1,2-a]quinolin-7-yl)methanol
CID 157698716
7-[Chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)imidazo[1,2-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 158101460
(1S)-1-[6-[2-[(4-methylphenyl)methyl]-3aH-indazol-2-ium-5-yl]-2-pyridinyl]ethane-1,2-diol;(1S)-1-[6-[1-[(4-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]ethane-1,2-diol;(1S)-1-[6-[1-[(4-methylphenyl)methyl]indazol-5-yl]-2-pyridinyl]ethane-1,2-diol;(1S)-1-[6-[1-[(4-methylphenyl)methyl]indol-5-yl]-2-pyridinyl]ethane-1,2-diol;(1S)-1-[6-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]ethane-1,2-diol
CID 158196212
2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2S)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylimidazo[1,5-a]pyridine;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;2-phenyl-4-propan-2-ylmorpholine
CID 158259156
7-[Chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazoline;7-[(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;2-[[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]amino]ethanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 158278026
1,2-dimethyl-5-propan-2-ylbenzimidazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;3-methyl-7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
CID 158918755
1-(4-chlorophenyl)-N,N-dimethylimidazo[1,5-a]pyrazin-3-amine;1-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazine;1-(4-chlorophenyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;1-(4-chlorophenyl)-3-(oxan-4-ylmethyl)imidazo[1,5-a]pyrazine;1-(4-chlorophenyl)-3-(oxolan-3-yl)imidazo[1,5-a]pyrazine;3-(oxan-4-yl)-1-phenylpyrazolo[5,4-c]pyridine
CID 158924078
11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[(2,3-difluorophenyl)-(oxan-4-yl)methyl]-5-(3,5-dimethylimidazol-4-yl)-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(1,4-dimethylpyrazol-5-yl)-8-[(2-fluorophenyl)-(oxan-4-yl)methyl]-10-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(1,4-dimethylpyrazol-5-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-10-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159058092

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 158582124) is 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)N1CCOC(C)(c2ccc(Cl)cc2)C1.CC(C)N1CCOC(c2ccc3c(cnn3C)c2)C1.CC(C)N1CCO[C@H](c2ccc3c(cnn3C)c2)C1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C2(C)CN(C(C)C)CCO2)cc1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12.
What is the InChIKey of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HTJNBYVFNUEZKF-NPGLFJIESA-N. The full InChI is InChI=1S/2C18H20N2.C15H18N4.2C15H21N3O.C15H23NO.C14H20ClNO.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;2*1-11(2)18-6-7-19-15(10-18)12-4-5-14-13(8-12)9-16-17(14)3;1-12(2)16-9-10-17-15(4,11-16)14-7-5-13(3)6-8-14;1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-10H,1-4H3;2*4-5,8-9,11,15H,6-7,10H2,1-3H3;5-8,12H,9-11H2,1-4H3;4-7,11H,8-10H2,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3/t;;;15-;;;;;;;/m...0......./s1.
What are the key properties of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2502.89 g/mol, XLogP of 32.58, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;2-(4-chlorophenyl)-2-methyl-4-propan-2-ylmorpholine;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;(2R)-2-(1-methylindazol-5-yl)-4-propan-2-ylmorpholine;2-methyl-2-(4-methylphenyl)-4-propan-2-ylmorpholine;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158582124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).