1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine

C22H18F3N3O2 — CID 164610840

IUPAC1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine
SMILESCC(C)Oc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F3N3O2/c1-13(2)29-21-9-14(23)3-8-17(21)18-10-20-19(11-26-18)27-12-28(20)15-4-6-16(7-5-15)30-22(24)25/h3-13,22H,1-2H3
InChIKeyKHEGYWDPJDYARD-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.62
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine

1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 164610840) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine
PubChem CID164610840
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine
SMILESCC(C)Oc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F3N3O2/c1-13(2)29-21-9-14(23)3-8-17(21)18-10-20-19(11-26-18)27-12-28(20)15-4-6-16(7-5-15)30-22(24)25/h3-13,22H,1-2H3
InChIKeyKHEGYWDPJDYARD-UHFFFAOYSA-N
XLogP5.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine (CID 164610840) is 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine is CC(C)Oc1cc(F)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is KHEGYWDPJDYARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-13(2)29-21-9-14(23)3-8-17(21)18-10-20-19(11-26-18)27-12-28(20)15-4-6-16(7-5-15)30-22(24)25/h3-13,22H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine?
1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 413.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 164610840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).