2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide

C25H24N4O — CID 134148392

IUPAC2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H24N4O/c1-17(2)25(30)27-20-10-6-9-19(15-20)26-21-12-13-22-23(28-29-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17,26H,1-2H3,(H,27,30)(H,28,29)/b14-11+
InChIKeyGPOMEWLRUWBTFZ-SDNWHVSQSA-N
MW396.49 g/mol
LogP6.07
Rot. Bonds6

About 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide

2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide (PubChem CID 134148392) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
PubChem CID134148392
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H24N4O/c1-17(2)25(30)27-20-10-6-9-19(15-20)26-21-12-13-22-23(28-29-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17,26H,1-2H3,(H,27,30)(H,28,29)/b14-11+
InChIKeyGPOMEWLRUWBTFZ-SDNWHVSQSA-N
XLogP6.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134149402
(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134144808
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
(E)-2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 134151491
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134146773
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304
2-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]pyrazole-3-carboxamide
CID 20781374
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanol;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 158718696
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide (CID 134148392) is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide?
The InChIKey is GPOMEWLRUWBTFZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17(2)25(30)27-20-10-6-9-19(15-20)26-21-12-13-22-23(28-29-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-17,26H,1-2H3,(H,27,30)(H,28,29)/b14-11+.
What are the key properties of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide?
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 6.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide is sourced from PubChem (CID 134148392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).