5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine

C25H13F8N5 — CID 59624143

IUPAC5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(F)c1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
InChIInChI=1S/C25H13F8N5/c26-17-2-1-3-18(27)22(17)23-34-20-8-9-38(12-21(20)35-23)11-14-5-7-19(37-36-14)15-6-4-13(24(28,29)30)10-16(15)25(31,32)33/h1-10,12H,11H2
InChIKeyZRLNXSCSZCTDIR-UHFFFAOYSA-N
MW535.40 g/mol
LogP6.87
Rot. Bonds4

About 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine

5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine (PubChem CID 59624143) has the molecular formula C25H13F8N5 and a molecular weight of 535.40 g/mol. Its IUPAC name is 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine
PubChem CID59624143
Molecular FormulaC25H13F8N5
Molecular Weight535.40 g/mol
Exact Mass535.10
IUPAC Name5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(F)c1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
InChIInChI=1S/C25H13F8N5/c26-17-2-1-3-18(27)22(17)23-34-20-8-9-38(12-21(20)35-23)11-14-5-7-19(37-36-14)15-6-4-13(24(28,29)30)10-16(15)25(31,32)33/h1-10,12H,11H2
InChIKeyZRLNXSCSZCTDIR-UHFFFAOYSA-N
XLogP6.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.40
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine (CID 59624143) is 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine is Fc1cccc(F)c1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.
What is the InChIKey of 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine?
The InChIKey is ZRLNXSCSZCTDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13F8N5/c26-17-2-1-3-18(27)22(17)23-34-20-8-9-38(12-21(20)35-23)11-14-5-7-19(37-36-14)15-6-4-13(24(28,29)30)10-16(15)25(31,32)33/h1-10,12H,11H2.
What are the key properties of 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine?
5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 535.40 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2,6-difluorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 59624143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).