(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine

C20H24N6O — CID 90400061

IUPAC(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C(\N)N1CCOCC1)c1nn(C)c2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C20H24N6O/c1-14(10-19(21)26-6-8-27-9-7-26)20-17-11-15(16-12-22-24(2)13-16)4-5-18(17)25(3)23-20/h4-5,10-13H,1,6-9,21H2,2-3H3/b19-10+
InChIKeyGAPGRLVPIHIMJV-VXLYETTFSA-N
MW364.45 g/mol
LogP2.12
Rot. Bonds4

About (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine

(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine (PubChem CID 90400061) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine
PubChem CID90400061
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C(\N)N1CCOCC1)c1nn(C)c2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C20H24N6O/c1-14(10-19(21)26-6-8-27-9-7-26)20-17-11-15(16-12-22-24(2)13-16)4-5-18(17)25(3)23-20/h4-5,10-13H,1,6-9,21H2,2-3H3/b19-10+
InChIKeyGAPGRLVPIHIMJV-VXLYETTFSA-N
XLogP2.12
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine 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 (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine (CID 90400061) is (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine is C=C(/C=C(\N)N1CCOCC1)c1nn(C)c2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is GAPGRLVPIHIMJV-VXLYETTFSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(10-19(21)26-6-8-27-9-7-26)20-17-11-15(16-12-22-24(2)13-16)4-5-18(17)25(3)23-20/h4-5,10-13H,1,6-9,21H2,2-3H3/b19-10+.
What are the key properties of (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine?
(1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 364.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-[1-methyl-5-(1-methylpyrazol-4-yl)indazol-3-yl]-1-morpholin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 90400061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).