5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine

C23H22FN5O — CID 86268383

IUPAC5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cc(NC2CCOCC2)ncc1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-15-12-22(27-17-7-10-30-11-8-17)26-13-19(15)23-28-20-6-9-25-14-21(20)29(23)18-4-2-16(24)3-5-18/h2-6,9,12-14,17H,7-8,10-11H2,1H3,(H,26,27)
InChIKeyVQCRFILQGVNLLK-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.52
Rot. Bonds4

About 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine

5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 86268383) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine
PubChem CID86268383
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1cc(NC2CCOCC2)ncc1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-15-12-22(27-17-7-10-30-11-8-17)26-13-19(15)23-28-20-6-9-25-14-21(20)29(23)18-4-2-16(24)3-5-18/h2-6,9,12-14,17H,7-8,10-11H2,1H3,(H,26,27)
InChIKeyVQCRFILQGVNLLK-UHFFFAOYSA-N
XLogP4.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine (CID 86268383) is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine is Cc1cc(NC2CCOCC2)ncc1-c1nc2ccncc2n1-c1ccc(F)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is VQCRFILQGVNLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-12-22(27-17-7-10-30-11-8-17)26-13-19(15)23-28-20-6-9-25-14-21(20)29(23)18-4-2-16(24)3-5-18/h2-6,9,12-14,17H,7-8,10-11H2,1H3,(H,26,27).
What are the key properties of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine?
5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 403.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 86268383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).