4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one

C22H20F2N8O2 — CID 167438759

IUPAC4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1nnc(N2CCNC(=O)C2)c2ncccc12
InChIInChI=1S/C22H20F2N8O2/c1-13-17(32(30-27-13)15-6-4-14(5-7-15)20(23)24)12-34-22-16-3-2-8-26-19(16)21(28-29-22)31-10-9-25-18(33)11-31/h2-8,20H,9-12H2,1H3,(H,25,33)
InChIKeyQGIFJYMIWRTUIK-UHFFFAOYSA-N
MW466.45 g/mol
LogP2.37
Rot. Bonds6

About 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one

4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one (PubChem CID 167438759) has the molecular formula C22H20F2N8O2 and a molecular weight of 466.45 g/mol. Its IUPAC name is 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one
PubChem CID167438759
Molecular FormulaC22H20F2N8O2
Molecular Weight466.45 g/mol
Exact Mass466.17
IUPAC Name4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1nnc(N2CCNC(=O)C2)c2ncccc12
InChIInChI=1S/C22H20F2N8O2/c1-13-17(32(30-27-13)15-6-4-14(5-7-15)20(23)24)12-34-22-16-3-2-8-26-19(16)21(28-29-22)31-10-9-25-18(33)11-31/h2-8,20H,9-12H2,1H3,(H,25,33)
InChIKeyQGIFJYMIWRTUIK-UHFFFAOYSA-N
XLogP2.37
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one?
The IUPAC name of 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one (CID 167438759) is 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1nnc(N2CCNC(=O)C2)c2ncccc12.
What is the InChIKey of 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one?
The InChIKey is QGIFJYMIWRTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8O2/c1-13-17(32(30-27-13)15-6-4-14(5-7-15)20(23)24)12-34-22-16-3-2-8-26-19(16)21(28-29-22)31-10-9-25-18(33)11-31/h2-8,20H,9-12H2,1H3,(H,25,33).
What are the key properties of 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one?
4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one has a molecular weight of 466.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyrido[2,3-d]pyridazin-8-yl]piperazin-2-one is sourced from PubChem (CID 167438759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).