2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine

C24H22FN7O — CID 66678794

IUPAC2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOc1nc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22FN7O/c1-14-11-19-21(30-23(31(19)3)16-5-7-17(25)8-6-16)22(27-14)28-20-10-9-18(24(29-20)33-4)32-12-15(2)26-13-32/h5-13H,1-4H3,(H,27,28,29)
InChIKeyGVJIEVCGSQIRLS-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.72
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine

2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 66678794) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID66678794
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOc1nc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22FN7O/c1-14-11-19-21(30-23(31(19)3)16-5-7-17(25)8-6-16)22(27-14)28-20-10-9-18(24(29-20)33-4)32-12-15(2)26-13-32/h5-13H,1-4H3,(H,27,28,29)
InChIKeyGVJIEVCGSQIRLS-UHFFFAOYSA-N
XLogP4.72
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine (CID 66678794) is 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine is COc1nc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is GVJIEVCGSQIRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-14-11-19-21(30-23(31(19)3)16-5-7-17(25)8-6-16)22(27-14)28-20-10-9-18(24(29-20)33-4)32-12-15(2)26-13-32/h5-13H,1-4H3,(H,27,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine?
2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 443.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 66678794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).