6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one

C23H21F2N5O3 — CID 163385319

IUPAC6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one
SMILESCCO/C=C/c1c(N)nn(-c2ccc3nn(C)cc3c2)c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N5O3/c1-3-32-11-10-18-20(14-4-7-17(8-5-14)33-23(24)25)22(31)30(28-21(18)26)16-6-9-19-15(12-16)13-29(2)27-19/h4-13,23H,3H2,1-2H3,(H2,26,28)/b11-10+
InChIKeyCOQCXODQSGTIIU-ZHACJKMWSA-N
MW453.45 g/mol
LogP3.98
Rot. Bonds7

About 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one

6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one (PubChem CID 163385319) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one
PubChem CID163385319
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one
SMILESCCO/C=C/c1c(N)nn(-c2ccc3nn(C)cc3c2)c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H21F2N5O3/c1-3-32-11-10-18-20(14-4-7-17(8-5-14)33-23(24)25)22(31)30(28-21(18)26)16-6-9-19-15(12-16)13-29(2)27-19/h4-13,23H,3H2,1-2H3,(H2,26,28)/b11-10+
InChIKeyCOQCXODQSGTIIU-ZHACJKMWSA-N
XLogP3.98
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one 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-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)-6-nitropyridazin-3-one
CID 163385280
5-(cyclopropylmethylamino)-4-[4-(difluoromethoxy)phenyl]-6-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one
CID 163385268
4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-5-(3,3,3-trifluoropropyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385332
6-(2,2-difluoroethoxy)-2-(2-methylindazol-5-yl)-4-phenylpyrido[3,2-c]pyridazin-3-one;6-(2,2-difluoroethoxy)-2-(2-methylindazol-5-yl)-4-pyridin-4-ylpyrido[3,2-c]pyridazin-3-one;4-[4-(difluoromethoxy)phenyl]-6-ethoxy-2-(4-methylphenyl)pyrido[3,2-c]pyridazin-3-one;6-ethoxy-2-(4-methylphenyl)-4-[6-(trifluoromethoxy)-3-pyridinyl]pyrido[3,2-c]pyridazin-3-one
CID 164956656
4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 175731285
3-[4-(difluoromethoxy)phenyl]-5-[(1Z,3Z)-3-ethoxyhexa-1,3-dienyl]-4-methyl-1-(3-methylbenzimidazol-5-yl)pyridin-2-one
CID 139552167
4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 165053047
3-[4-(difluoromethoxy)phenyl]-5-[(1Z,3Z)-3-ethoxyhexa-1,3-dienyl]-1-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 139552150
5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385201
4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-8H-pteridin-7-one
CID 175801000
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one?
The IUPAC name of 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one (CID 163385319) is 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one?
The canonical SMILES for 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one is CCO/C=C/c1c(N)nn(-c2ccc3nn(C)cc3c2)c(=O)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one?
The InChIKey is COQCXODQSGTIIU-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-3-32-11-10-18-20(14-4-7-17(8-5-14)33-23(24)25)22(31)30(28-21(18)26)16-6-9-19-15(12-16)13-29(2)27-19/h4-13,23H,3H2,1-2H3,(H2,26,28)/b11-10+.
What are the key properties of 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one?
6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one has a molecular weight of 453.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(difluoromethoxy)phenyl]-5-[(E)-2-ethoxyethenyl]-2-(2-methylindazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 163385319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).