1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine

C19H13F3N4O — CID 164627321

IUPAC1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine
SMILESCc1cc(F)ncc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F3N4O/c1-11-6-18(20)24-8-14(11)15-7-17-16(9-23-15)25-10-26(17)12-2-4-13(5-3-12)27-19(21)22/h2-10,19H,1H3
InChIKeyOVHYLCVBRHRZJZ-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.53
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine

1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine (PubChem CID 164627321) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine
PubChem CID164627321
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine
SMILESCc1cc(F)ncc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F3N4O/c1-11-6-18(20)24-8-14(11)15-7-17-16(9-23-15)25-10-26(17)12-2-4-13(5-3-12)27-19(21)22/h2-10,19H,1H3
InChIKeyOVHYLCVBRHRZJZ-UHFFFAOYSA-N
XLogP4.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine (CID 164627321) is 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine is Cc1cc(F)ncc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine?
The InChIKey is OVHYLCVBRHRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-11-6-18(20)24-8-14(11)15-7-17-16(9-23-15)25-10-26(17)12-2-4-13(5-3-12)27-19(21)22/h2-10,19H,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine?
1-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine has a molecular weight of 370.33 g/mol, XLogP of 4.53, 4 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-(6-fluoro-4-methyl-3-pyridinyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 164627321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).