2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one

C26H37F2N5O2 — CID 145427267

IUPAC2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one
SMILESC=C/C(=C\C=C(C)C)n1nc(Nc2cccn(C)c2=O)c2c(c1=O)CNCC2.CC.CC(C)(F)F
InChIInChI=1S/C21H25N5O2.C3H6F2.C2H6/c1-5-15(9-8-14(2)3)26-20(27)17-13-22-11-10-16(17)19(24-26)23-18-7-6-12-25(4)21(18)28;1-3(2,4)5;1-2/h5-9,12,22H,1,10-11,13H2,2-4H3,(H,23,24);1-2H3;1-2H3/b15-9+;;
InChIKeyXNKYMYSUINZPDM-CBNWXSEKSA-N
MW489.61 g/mol
LogP5.01
Rot. Bonds5

About 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one

2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one (PubChem CID 145427267) has the molecular formula C26H37F2N5O2 and a molecular weight of 489.61 g/mol. Its IUPAC name is 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one
PubChem CID145427267
Molecular FormulaC26H37F2N5O2
Molecular Weight489.61 g/mol
Exact Mass489.29
IUPAC Name2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one
SMILESC=C/C(=C\C=C(C)C)n1nc(Nc2cccn(C)c2=O)c2c(c1=O)CNCC2.CC.CC(C)(F)F
InChIInChI=1S/C21H25N5O2.C3H6F2.C2H6/c1-5-15(9-8-14(2)3)26-20(27)17-13-22-11-10-16(17)19(24-26)23-18-7-6-12-25(4)21(18)28;1-3(2,4)5;1-2/h5-9,12,22H,1,10-11,13H2,2-4H3,(H,23,24);1-2H3;1-2H3/b15-9+;;
InChIKeyXNKYMYSUINZPDM-CBNWXSEKSA-N
XLogP5.01
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one 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 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one (CID 145427267) is 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one is C=C/C(=C\C=C(C)C)n1nc(Nc2cccn(C)c2=O)c2c(c1=O)CNCC2.CC.CC(C)(F)F.
What is the InChIKey of 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one?
The InChIKey is XNKYMYSUINZPDM-CBNWXSEKSA-N. The full InChI is InChI=1S/C21H25N5O2.C3H6F2.C2H6/c1-5-15(9-8-14(2)3)26-20(27)17-13-22-11-10-16(17)19(24-26)23-18-7-6-12-25(4)21(18)28;1-3(2,4)5;1-2/h5-9,12,22H,1,10-11,13H2,2-4H3,(H,23,24);1-2H3;1-2H3/b15-9+;;.
What are the key properties of 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one?
2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one has a molecular weight of 489.61 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane;ethane;3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1-[(1-methyl-2-oxo-3-pyridinyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 145427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).