N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide

C25H24N6O3 — CID 171853363

IUPACN-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nn3ncnc(N)c3c2-c2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C25H24N6O3/c1-2-21(32)29-18-7-3-17(4-8-18)23-22(24-25(26)27-15-28-31(24)30-23)16-5-9-19(10-6-16)34-20-11-13-33-14-12-20/h2-10,15,20H,1,11-14H2,(H,29,32)(H2,26,27,28)
InChIKeyJWGZOKGVBZIGEG-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.72
Rot. Bonds6

About N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide

N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide (PubChem CID 171853363) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
PubChem CID171853363
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nn3ncnc(N)c3c2-c2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C25H24N6O3/c1-2-21(32)29-18-7-3-17(4-8-18)23-22(24-25(26)27-15-28-31(24)30-23)16-5-9-19(10-6-16)34-20-11-13-33-14-12-20/h2-10,15,20H,1,11-14H2,(H,29,32)(H2,26,27,28)
InChIKeyJWGZOKGVBZIGEG-UHFFFAOYSA-N
XLogP3.72
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide 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

4-[4-amino-6-[4-(prop-2-enoylamino)phenyl]pyrazolo[5,1-f][1,2,4]triazin-5-yl]-N-cyclobutyl-2-methoxy-N-methylbenzamide
CID 171617455
methyl 4-[4-amino-6-[4-(prop-2-enoylamino)phenyl]pyrazolo[5,1-f][1,2,4]triazin-5-yl]-2-methoxybenzoate
CID 171617520
N-[4-[4-amino-5-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171853310
N-[4-[4-amino-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171617450
4-[4-amino-6-[4-(prop-2-enoylamino)phenyl]pyrazolo[5,1-f][1,2,4]triazin-5-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-methoxybenzamide
CID 171617755
N-[4-[4-amino-5-[2-(1-methylcyclopropyl)-1,3-benzothiazol-6-yl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171617562
4-[4-amino-6-[4-(prop-2-enoylamino)phenyl]pyrazolo[5,1-f][1,2,4]triazin-5-yl]-N-(2-fluoroethyl)-2-methoxybenzamide
CID 171617828
N-[4-[4-amino-5-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171853203
N-[4-[4-amino-5-[3-fluoro-4-[methyl-(4-methylpyrimidin-2-yl)amino]phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171617754
N-[4-[4-amino-5-[3-methoxy-4-(1-methylimidazole-2-carbonyl)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171617647
4-[4-amino-6-[2-methoxy-4-(prop-2-enoylamino)phenyl]pyrazolo[5,1-f][1,2,4]triazin-5-yl]-N-(2-methylpropyl)benzamide
CID 171853343
N-[4-[4-amino-7-cyano-3-(4-cyclohexyloxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]phenyl]prop-2-enamide
CID 171617397

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide (CID 171853363) is N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2nn3ncnc(N)c3c2-c2ccc(OC3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide?
The InChIKey is JWGZOKGVBZIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-2-21(32)29-18-7-3-17(4-8-18)23-22(24-25(26)27-15-28-31(24)30-23)16-5-9-19(10-6-16)34-20-11-13-33-14-12-20/h2-10,15,20H,1,11-14H2,(H,29,32)(H2,26,27,28).
What are the key properties of N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide?
N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide has a molecular weight of 456.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-5-[4-(oxan-4-yloxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 171853363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).