(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide

C21H20N6O — CID 89122382

IUPAC(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide
SMILESC=C(/C=C\N(C)N)C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H20N6O/c1-13(7-9-27(2)22)21(28)25-19-10-14(11-20-17(19)12-24-26-20)15-4-3-5-18-16(15)6-8-23-18/h3-12,23H,1,22H2,2H3,(H,24,26)(H,25,28)/b9-7-
InChIKeyRSEYZEDZAJEUEJ-CLFYSBASSA-N
MW372.43 g/mol
LogP3.53
Rot. Bonds5

About (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide

(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide (PubChem CID 89122382) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide.

Molecular Properties

Compound Name(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide
PubChem CID89122382
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide
SMILESC=C(/C=C\N(C)N)C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H20N6O/c1-13(7-9-27(2)22)21(28)25-19-10-14(11-20-17(19)12-24-26-20)15-4-3-5-18-16(15)6-8-23-18/h3-12,23H,1,22H2,2H3,(H,24,26)(H,25,28)/b9-7-
InChIKeyRSEYZEDZAJEUEJ-CLFYSBASSA-N
XLogP3.53
TPSA102.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide?
The IUPAC name of (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide (CID 89122382) is (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide.
What is the SMILES notation for (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide?
The canonical SMILES for (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide is C=C(/C=C\N(C)N)C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide?
The InChIKey is RSEYZEDZAJEUEJ-CLFYSBASSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13(7-9-27(2)22)21(28)25-19-10-14(11-20-17(19)12-24-26-20)15-4-3-5-18-16(15)6-8-23-18/h3-12,23H,1,22H2,2H3,(H,24,26)(H,25,28)/b9-7-.
What are the key properties of (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide?
(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide has a molecular weight of 372.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide is sourced from PubChem (CID 89122382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).