6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C20H17F2N5O4 — CID 147132119

IUPAC6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCn1cc(-n2nc(-c3ccc(C(F)F)cc3)cc(C(=O)/N=C3\COC[C@@H]3O)c2=O)cn1
InChIInChI=1S/C20H17F2N5O4/c1-26-8-13(7-23-26)27-20(30)14(19(29)24-16-9-31-10-17(16)28)6-15(25-27)11-2-4-12(5-3-11)18(21)22/h2-8,17-18,28H,9-10H2,1H3/b24-16+/t17-/m0/s1
InChIKeyBQKQMBBEUCSSGG-FLVDCRJSSA-N
MW429.38 g/mol
LogP1.54
Rot. Bonds4

About 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 147132119) has the molecular formula C20H17F2N5O4 and a molecular weight of 429.38 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID147132119
Molecular FormulaC20H17F2N5O4
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCn1cc(-n2nc(-c3ccc(C(F)F)cc3)cc(C(=O)/N=C3\COC[C@@H]3O)c2=O)cn1
InChIInChI=1S/C20H17F2N5O4/c1-26-8-13(7-23-26)27-20(30)14(19(29)24-16-9-31-10-17(16)28)6-15(25-27)11-2-4-12(5-3-11)18(21)22/h2-8,17-18,28H,9-10H2,1H3/b24-16+/t17-/m0/s1
InChIKeyBQKQMBBEUCSSGG-FLVDCRJSSA-N
XLogP1.54
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide 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 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 147132119) is 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is Cn1cc(-n2nc(-c3ccc(C(F)F)cc3)cc(C(=O)/N=C3\COC[C@@H]3O)c2=O)cn1.
What is the InChIKey of 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is BQKQMBBEUCSSGG-FLVDCRJSSA-N. The full InChI is InChI=1S/C20H17F2N5O4/c1-26-8-13(7-23-26)27-20(30)14(19(29)24-16-9-31-10-17(16)28)6-15(25-27)11-2-4-12(5-3-11)18(21)22/h2-8,17-18,28H,9-10H2,1H3/b24-16+/t17-/m0/s1.
What are the key properties of 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 429.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 147132119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).