2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide

C72H66N24O3 — CID 158337930

IUPAC2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1.Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(/C=C/c5ncc[nH]5)n[nH]c4c3)c2)n(C)n1.Cn1ccnc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C25H24N8O.C24H22N8O.C23H20N8O/c1-3-33-23(13-16(2)32-33)25(34)29-18-6-4-5-17(14-18)28-19-7-8-20-21(30-31-22(20)15-19)9-10-24-26-11-12-27-24;1-15-12-22(32(2)31-15)24(33)28-17-5-3-4-16(13-17)27-18-6-7-19-20(29-30-21(19)14-18)8-9-23-25-10-11-26-23;1-31-12-11-26-22(31)23(32)28-16-4-2-3-15(13-16)27-17-5-6-18-19(29-30-20(18)14-17)7-8-21-24-9-10-25-21/h4-15,28H,3H2,1-2H3,(H,26,27)(H,29,34)(H,30,31);3-14,27H,1-2H3,(H,25,26)(H,28,33)(H,29,30);2-14,27H,1H3,(H,24,25)(H,28,32)(H,29,30)/b10-9+;9-8+;8-7+
InChIKeyGQURWSOXUJRVQH-ZXTPSCOLSA-N
MW1315.48 g/mol
LogP13.66
Rot. Bonds19

About 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide

2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide (PubChem CID 158337930) has the molecular formula C72H66N24O3 and a molecular weight of 1315.48 g/mol. Its IUPAC name is 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide
PubChem CID158337930
Molecular FormulaC72H66N24O3
Molecular Weight1315.48 g/mol
Exact Mass1314.57
IUPAC Name2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1.Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(/C=C/c5ncc[nH]5)n[nH]c4c3)c2)n(C)n1.Cn1ccnc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C25H24N8O.C24H22N8O.C23H20N8O/c1-3-33-23(13-16(2)32-33)25(34)29-18-6-4-5-17(14-18)28-19-7-8-20-21(30-31-22(20)15-19)9-10-24-26-11-12-27-24;1-15-12-22(32(2)31-15)24(33)28-17-5-3-4-16(13-17)27-18-6-7-19-20(29-30-21(19)14-18)8-9-23-25-10-11-26-23;1-31-12-11-26-22(31)23(32)28-16-4-2-3-15(13-16)27-17-5-6-18-19(29-30-20(18)14-17)7-8-21-24-9-10-25-21/h4-15,28H,3H2,1-2H3,(H,26,27)(H,29,34)(H,30,31);3-14,27H,1-2H3,(H,25,26)(H,28,33)(H,29,30);2-14,27H,1H3,(H,24,25)(H,28,32)(H,29,30)/b10-9+;9-8+;8-7+
InChIKeyGQURWSOXUJRVQH-ZXTPSCOLSA-N
XLogP13.66
TPSA348.93 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001315.48
LogP ≤ 513.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide with MolForge

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Related Compounds

CRAF inhibitor
CID 127039888
4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44308543
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]benzamide
CID 44387457
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44387459
CID 71719395
CID 71719395
N-[(3-methylimidazol-4-yl)methyl]-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
CID 136016385
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[6-[(4-pyridin-2-ylphenyl)methylamino]-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 136176136
Tetrahydro-benzodipyrazole deriv. 7q
CID 135403033
N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
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N-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-N-methyl-1H-pyrazolo[2,3-a]pyridin-8-ium-7-carboxamide
CID 162675594
1-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide
CID 172442570
N-(1H-benzimidazol-2-ylmethyl)-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 117622398

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide (CID 158337930) is 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1.Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(/C=C/c5ncc[nH]5)n[nH]c4c3)c2)n(C)n1.Cn1ccnc1C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ncc[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide?
The InChIKey is GQURWSOXUJRVQH-ZXTPSCOLSA-N. The full InChI is InChI=1S/C25H24N8O.C24H22N8O.C23H20N8O/c1-3-33-23(13-16(2)32-33)25(34)29-18-6-4-5-17(14-18)28-19-7-8-20-21(30-31-22(20)15-19)9-10-24-26-11-12-27-24;1-15-12-22(32(2)31-15)24(33)28-17-5-3-4-16(13-17)27-18-6-7-19-20(29-30-21(19)14-18)8-9-23-25-10-11-26-23;1-31-12-11-26-22(31)23(32)28-16-4-2-3-15(13-16)27-17-5-6-18-19(29-30-20(18)14-17)7-8-21-24-9-10-25-21/h4-15,28H,3H2,1-2H3,(H,26,27)(H,29,34)(H,30,31);3-14,27H,1-2H3,(H,25,26)(H,28,33)(H,29,30);2-14,27H,1H3,(H,24,25)(H,28,32)(H,29,30)/b10-9+;9-8+;8-7+.
What are the key properties of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide?
2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 1315.48 g/mol, XLogP of 13.66, 19 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 158337930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).