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

C18H13F2N5 — CID 68618822

IUPAC5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1-c1nncc2ncccc12
InChIInChI=1S/C18H13F2N5/c1-10-17(18-13-4-3-7-21-15(13)9-22-23-18)11(2)25(24-10)16-6-5-12(19)8-14(16)20/h3-9H,1-2H3
InChIKeyRFOIDXCZTVLYJQ-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.77
Rot. Bonds2

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

5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine (PubChem CID 68618822) has the molecular formula C18H13F2N5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine
PubChem CID68618822
Molecular FormulaC18H13F2N5
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC Name5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1-c1nncc2ncccc12
InChIInChI=1S/C18H13F2N5/c1-10-17(18-13-4-3-7-21-15(13)9-22-23-18)11(2)25(24-10)16-6-5-12(19)8-14(16)20/h3-9H,1-2H3
InChIKeyRFOIDXCZTVLYJQ-UHFFFAOYSA-N
XLogP3.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine?
The IUPAC name of 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine (CID 68618822) is 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine.
What is the SMILES notation for 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine?
The canonical SMILES for 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine is Cc1nn(-c2ccc(F)cc2F)c(C)c1-c1nncc2ncccc12.
What is the InChIKey of 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine?
The InChIKey is RFOIDXCZTVLYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5/c1-10-17(18-13-4-3-7-21-15(13)9-22-23-18)11(2)25(24-10)16-6-5-12(19)8-14(16)20/h3-9H,1-2H3.
What are the key properties of 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine?
5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine has a molecular weight of 337.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrido[2,3-d]pyridazine is sourced from PubChem (CID 68618822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).