3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide

C136H128N38O5 — CID 161425178

IUPAC3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESCC(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN6CCCC6)n5)cc34)ccc2c1.O=C(CN1CCOCC1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1.O=C(Nc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)c1
InChIInChI=1S/C27H25N7O.C25H24N6.C22H16N6O.C21H21N7O2.C21H22N6.C20H20N6O/c35-27(28-21-9-2-1-3-10-21)20-8-6-7-18(15-20)25-22-16-19(11-12-23(22)30-32-25)26-29-24(31-33-26)17-34-13-4-5-14-34;1-16-4-5-18-13-19(7-6-17(18)12-16)24-21-14-20(8-9-22(21)27-29-24)25-26-23(28-30-25)15-31-10-2-3-11-31;29-22(14-5-2-1-3-6-14)25-17-8-4-7-15(11-17)20-18-12-16(21-23-13-24-28-21)9-10-19(18)26-27-20;29-19(12-28-6-8-30-9-7-28)24-16-3-1-2-14(10-16)20-17-11-15(21-22-13-23-27-21)4-5-18(17)25-26-20;1-14-4-6-15(7-5-14)20-17-12-16(8-9-18(17)23-25-20)21-22-19(24-26-21)13-27-10-2-3-11-27;1-12(2)8-18(27)23-15-5-3-4-13(9-15)19-16-10-14(20-21-11-22-26-20)6-7-17(16)24-25-19/h1-3,6-12,15-16H,4-5,13-14,17H2,(H,28,35)(H,30,32)(H,29,31,33);4-9,12-14H,2-3,10-11,15H2,1H3,(H,27,29)(H,26,28,30);1-13H,(H,25,29)(H,26,27)(H,23,24,28);1-5,10-11,13H,6-9,12H2,(H,24,29)(H,25,26)(H,22,23,27);4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)(H,22,24,26);3-7,9-12H,8H2,1-2H3,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyVXGMKDOJXFUZNV-UHFFFAOYSA-N
MW2374.78 g/mol
LogP24.41
Rot. Bonds28

About 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide

3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (PubChem CID 161425178) has the molecular formula C136H128N38O5 and a molecular weight of 2374.78 g/mol. Its IUPAC name is 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
PubChem CID161425178
Molecular FormulaC136H128N38O5
Molecular Weight2374.78 g/mol
Exact Mass2373.09
IUPAC Name3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESCC(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN6CCCC6)n5)cc34)ccc2c1.O=C(CN1CCOCC1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1.O=C(Nc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)c1
InChIInChI=1S/C27H25N7O.C25H24N6.C22H16N6O.C21H21N7O2.C21H22N6.C20H20N6O/c35-27(28-21-9-2-1-3-10-21)20-8-6-7-18(15-20)25-22-16-19(11-12-23(22)30-32-25)26-29-24(31-33-26)17-34-13-4-5-14-34;1-16-4-5-18-13-19(7-6-17(18)12-16)24-21-14-20(8-9-22(21)27-29-24)25-26-23(28-30-25)15-31-10-2-3-11-31;29-22(14-5-2-1-3-6-14)25-17-8-4-7-15(11-17)20-18-12-16(21-23-13-24-28-21)9-10-19(18)26-27-20;29-19(12-28-6-8-30-9-7-28)24-16-3-1-2-14(10-16)20-17-11-15(21-22-13-23-27-21)4-5-18(17)25-26-20;1-14-4-6-15(7-5-14)20-17-12-16(8-9-18(17)23-25-20)21-22-19(24-26-21)13-27-10-2-3-11-27;1-12(2)8-18(27)23-15-5-3-4-13(9-15)19-16-10-14(20-21-11-22-26-20)6-7-17(16)24-25-19/h1-3,6-12,15-16H,4-5,13-14,17H2,(H,28,35)(H,30,32)(H,29,31,33);4-9,12-14H,2-3,10-11,15H2,1H3,(H,27,29)(H,26,28,30);1-13H,(H,25,29)(H,26,27)(H,23,24,28);1-5,10-11,13H,6-9,12H2,(H,24,29)(H,25,26)(H,22,23,27);4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)(H,22,24,26);3-7,9-12H,8H2,1-2H3,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyVXGMKDOJXFUZNV-UHFFFAOYSA-N
XLogP24.41
TPSA560.09 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.78
LogP ≤ 524.41
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Analyze 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide with MolForge

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Related Compounds

1-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(oxan-4-yl)-1-(1H-1,2,4-triazol-5-ylmethyl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylindazol-5-yl)imidazol-2-one
CID 139328333
5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 158258598
1-[(1-cyclohexylazetidin-2-yl)methyl]-4-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]indazole-6-carboxamide;1-[2-[2,2-difluoropropyl(methyl)amino]ethyl]-4-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]indazole-6-carboxamide;4-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-1-(1-morpholin-4-ylpropan-2-yl)indazole-6-carboxamide
CID 160091810
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide
CID 161047345
N-(2-amino-2-methylpropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate
CID 167552038
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 167634477
methyl N-[(1R,3R)-3-[11-[4-[2-[3-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]amino]-3-oxopropoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291326
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[3-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291381
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]ethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291409
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]amino]-2-oxoethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291434
methyl N-[(1R,3R)-3-[11-[4-[[4-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoyl]cyclohexyl]methylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291474
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[2-[[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]amino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291504

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The IUPAC name of 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (CID 161425178) is 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The canonical SMILES for 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is CC(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN6CCCC6)n5)cc34)ccc2c1.O=C(CN1CCOCC1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1.O=C(Nc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)c1.
What is the InChIKey of 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The InChIKey is VXGMKDOJXFUZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O.C25H24N6.C22H16N6O.C21H21N7O2.C21H22N6.C20H20N6O/c35-27(28-21-9-2-1-3-10-21)20-8-6-7-18(15-20)25-22-16-19(11-12-23(22)30-32-25)26-29-24(31-33-26)17-34-13-4-5-14-34;1-16-4-5-18-13-19(7-6-17(18)12-16)24-21-14-20(8-9-22(21)27-29-24)25-26-23(28-30-25)15-31-10-2-3-11-31;29-22(14-5-2-1-3-6-14)25-17-8-4-7-15(11-17)20-18-12-16(21-23-13-24-28-21)9-10-19(18)26-27-20;29-19(12-28-6-8-30-9-7-28)24-16-3-1-2-14(10-16)20-17-11-15(21-22-13-23-27-21)4-5-18(17)25-26-20;1-14-4-6-15(7-5-14)20-17-12-16(8-9-18(17)23-25-20)21-22-19(24-26-21)13-27-10-2-3-11-27;1-12(2)8-18(27)23-15-5-3-4-13(9-15)19-16-10-14(20-21-11-22-26-20)6-7-17(16)24-25-19/h1-3,6-12,15-16H,4-5,13-14,17H2,(H,28,35)(H,30,32)(H,29,31,33);4-9,12-14H,2-3,10-11,15H2,1H3,(H,27,29)(H,26,28,30);1-13H,(H,25,29)(H,26,27)(H,23,24,28);1-5,10-11,13H,6-9,12H2,(H,24,29)(H,25,26)(H,22,23,27);4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)(H,22,24,26);3-7,9-12H,8H2,1-2H3,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide has a molecular weight of 2374.78 g/mol, XLogP of 24.41, 28 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylnaphthalen-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-methylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-methyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]butanamide;2-morpholin-4-yl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;N-phenyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 161425178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).