2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid

C93H79N17O12 — CID 159963416

IUPAC2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)cn1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.Cn1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)c1.O=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12
InChIInChI=1S/C25H19N5O3.2C23H20N4O3.C22H20N4O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18;1-15-6-9-17(13-24-15)23(30)25-18-10-7-16(8-11-18)14-27-21-5-3-2-4-19(21)20(26-27)12-22(28)29;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29;1-25-11-10-16(14-25)22(29)23-17-8-6-15(7-9-17)13-26-20-5-3-2-4-18(20)19(24-26)12-21(27)28/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33);2-11,13H,12,14H2,1H3,(H,25,30)(H,28,29);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30);2-11,14H,12-13H2,1H3,(H,23,29)(H,27,28)
InChIKeyODPSEHBXKWINNW-UHFFFAOYSA-N
MW1626.76 g/mol
LogP14.54
Rot. Bonds24

About 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid

2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid (PubChem CID 159963416) has the molecular formula C93H79N17O12 and a molecular weight of 1626.76 g/mol. Its IUPAC name is 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
PubChem CID159963416
Molecular FormulaC93H79N17O12
Molecular Weight1626.76 g/mol
Exact Mass1625.61
IUPAC Name2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)cn1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.Cn1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)c1.O=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12
InChIInChI=1S/C25H19N5O3.2C23H20N4O3.C22H20N4O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18;1-15-6-9-17(13-24-15)23(30)25-18-10-7-16(8-11-18)14-27-21-5-3-2-4-19(21)20(26-27)12-22(28)29;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29;1-25-11-10-16(14-25)22(29)23-17-8-6-15(7-9-17)13-26-20-5-3-2-4-18(20)19(24-26)12-21(27)28/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33);2-11,13H,12,14H2,1H3,(H,25,30)(H,28,29);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30);2-11,14H,12-13H2,1H3,(H,23,29)(H,27,28)
InChIKeyODPSEHBXKWINNW-UHFFFAOYSA-N
XLogP14.54
TPSA393.37 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001626.76
LogP ≤ 514.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid with MolForge

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Related Compounds

acetyloxymethyl (2E)-1-[3-(acetyloxymethoxy)-3-oxopropyl]-2-[(E,4Z)-4-[1-ethyl-3-[2-[4-[4-[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindazol-6-yl]-2-pyridinyl]piperazin-1-yl]butyl]triazol-1-yl]ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]but-2-enylidene]-3,3-dimethylindole-5-carboxylate
CID 118732745
acetyloxymethyl (2Z)-1-[3-(acetyloxymethoxy)-3-oxopropyl]-2-[(E,4E)-4-[1-ethyl-3-[2-[4-[4-[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindazol-6-yl]-2-pyridinyl]piperazin-1-yl]butyl]triazol-1-yl]ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]but-2-enylidene]-3,3-dimethylindole-5-carboxylate
CID 177372793
acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline
CID 161135962
2-[1-[[5-(2-naphthamido)pyrazin-2-yl]methyl]-1H-indazol-3-yl]acetic acid
CID 71571940
1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]piperidin-3-yl]-3-phenylpropan-2-one;N-[6-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrazol-4-yl]-3-phenylpropan-2-one;N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrimidin-2-yl]-2-phenylacetamide;1-[1-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]pyrrolidin-3-yl]-3-phenylpropan-2-one
CID 157067298
6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157176682
1,3-dimethyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[3,4-c]pyridine;2-methoxy-3-(4-propan-2-yl-2-pyridinyl)pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;1-methyl-4-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;3-(4-propan-2-yl-2-pyridinyl)-1H-pyridin-2-one;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 157203725
1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone
CID 157326796
1,5-Dimethyl-7-propan-2-ylindole-2-carboxylic acid;3-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,2,4-oxadiazole;1-methyl-5-(1-methylpyrazol-4-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-5-pyridin-2-ylindole;1-methyl-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indole-2-carboxylic acid;1-[(3-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-6-carboxamide
CID 157436362
2-(4-acetylpiperazin-1-yl)-6-(2-methylpropyl)pyridine-4-carboxylic acid;1-[2-(dimethylamino)ethyl]-4-propan-2-ylindole-6-carboxylic acid;1-methyl-7-propan-2-ylindazole-3-carboxylic acid;2-methyl-7-propan-2-ylindazole-3-carboxylic acid;1-methyl-7-propan-2-yl-3-(3H-1,2,4-triazol-5-yl)indole;2-(2-methylpropyl)-6-piperidin-1-ylpyridine-4-carboxylic acid;2-(2-morpholin-4-ylethyl)-7-propan-2-ylindazole-5-carboxylic acid
CID 157480902
Bis(4-[4-[[4-[4-[3-(1-tert-butylpyrazol-4-yl)-3-oxopropyl]-3-methylphenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid);methyl 4-[4-[[4-[4-[3-(1-tert-butylpyrazol-4-yl)-3-oxopropyl]-3-methylphenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]cyclohexane-1-carboxylate
CID 157646894
1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 157896907

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid (CID 159963416) is 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid is Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)cn1.Cc1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cn2)cc1.Cn1ccc(C(=O)Nc2ccc(Cn3nc(CC(=O)O)c4ccccc43)cc2)c1.O=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12.
What is the InChIKey of 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The InChIKey is ODPSEHBXKWINNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3.2C23H20N4O3.C22H20N4O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18;1-15-6-9-17(13-24-15)23(30)25-18-10-7-16(8-11-18)14-27-21-5-3-2-4-19(21)20(26-27)12-22(28)29;1-15-6-9-17(10-7-15)23(30)25-21-11-8-16(13-24-21)14-27-20-5-3-2-4-18(20)19(26-27)12-22(28)29;1-25-11-10-16(14-25)22(29)23-17-8-6-15(7-9-17)13-26-20-5-3-2-4-18(20)19(24-26)12-21(27)28/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33);2-11,13H,12,14H2,1H3,(H,25,30)(H,28,29);2-11,13H,12,14H2,1H3,(H,28,29)(H,24,25,30);2-11,14H,12-13H2,1H3,(H,23,29)(H,27,28).
What are the key properties of 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid has a molecular weight of 1626.76 g/mol, XLogP of 14.54, 24 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 159963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).