(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide

C30H26N4O3 — CID 134152211

IUPAC(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
SMILESO=C(/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)NCC1CC1
InChIInChI=1S/C30H26N4O3/c35-28(31-19-21-9-10-21)15-16-29(36)32-24-8-4-7-22(17-24)30(37)23-12-13-25-26(33-34-27(25)18-23)14-11-20-5-2-1-3-6-20/h1-8,11-18,21H,9-10,19H2,(H,31,35)(H,32,36)(H,33,34)/b14-11+,16-15+
InChIKeyWJOTXMHQKREUEX-LPVXAABHSA-N
MW490.56 g/mol
LogP4.99
Rot. Bonds9

About (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide

(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide (PubChem CID 134152211) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
PubChem CID134152211
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC Name(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
SMILESO=C(/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)NCC1CC1
InChIInChI=1S/C30H26N4O3/c35-28(31-19-21-9-10-21)15-16-29(36)32-24-8-4-7-22(17-24)30(37)23-12-13-25-26(33-34-27(25)18-23)14-11-20-5-2-1-3-6-20/h1-8,11-18,21H,9-10,19H2,(H,31,35)(H,32,36)(H,33,34)/b14-11+,16-15+
InChIKeyWJOTXMHQKREUEX-LPVXAABHSA-N
XLogP4.99
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 134137572
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134146773
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225
(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
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134149402

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide?
The IUPAC name of (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide (CID 134152211) is (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide?
The canonical SMILES for (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide is O=C(/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)NCC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide?
The InChIKey is WJOTXMHQKREUEX-LPVXAABHSA-N. The full InChI is InChI=1S/C30H26N4O3/c35-28(31-19-21-9-10-21)15-16-29(36)32-24-8-4-7-22(17-24)30(37)23-12-13-25-26(33-34-27(25)18-23)14-11-20-5-2-1-3-6-20/h1-8,11-18,21H,9-10,19H2,(H,31,35)(H,32,36)(H,33,34)/b14-11+,16-15+.
What are the key properties of (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide?
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide has a molecular weight of 490.56 g/mol, XLogP of 4.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide is sourced from PubChem (CID 134152211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).