1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine

C18H15F2N5 — CID 68618825

IUPAC1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine
SMILESCc1n[nH]c(C)c1-c1nncc2c1C=CCN2c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N5/c1-10-17(11(2)23-22-10)18-13-4-3-7-25(16(13)9-21-24-18)15-6-5-12(19)8-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,22,23)
InChIKeyVQKNACXFGONSCN-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.93
Rot. Bonds2

About 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine

1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine (PubChem CID 68618825) has the molecular formula C18H15F2N5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine
PubChem CID68618825
Molecular FormulaC18H15F2N5
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine
SMILESCc1n[nH]c(C)c1-c1nncc2c1C=CCN2c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N5/c1-10-17(11(2)23-22-10)18-13-4-3-7-25(16(13)9-21-24-18)15-6-5-12(19)8-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,22,23)
InChIKeyVQKNACXFGONSCN-UHFFFAOYSA-N
XLogP3.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine (CID 68618825) is 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine is Cc1n[nH]c(C)c1-c1nncc2c1C=CCN2c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine?
The InChIKey is VQKNACXFGONSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5/c1-10-17(11(2)23-22-10)18-13-4-3-7-25(16(13)9-21-24-18)15-6-5-12(19)8-14(15)20/h3-6,8-9H,7H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine?
1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine has a molecular weight of 339.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-pyrido[2,3-d]pyridazine is sourced from PubChem (CID 68618825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).