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

C21H19FN6O — CID 86268998

IUPAC5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESFc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C21H19FN6O/c22-15-1-3-17(4-2-15)28-19-13-23-8-5-18(19)27-20(28)14-11-24-21(25-12-14)26-16-6-9-29-10-7-16/h1-5,8,11-13,16H,6-7,9-10H2,(H,24,25,26)
InChIKeyPHZROAIBUPMONR-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.61
Rot. Bonds4

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

5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 86268998) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID86268998
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESFc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C21H19FN6O/c22-15-1-3-17(4-2-15)28-19-13-23-8-5-18(19)27-20(28)14-11-24-21(25-12-14)26-16-6-9-29-10-7-16/h1-5,8,11-13,16H,6-7,9-10H2,(H,24,25,26)
InChIKeyPHZROAIBUPMONR-UHFFFAOYSA-N
XLogP3.61
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 86268998) is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine is Fc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is PHZROAIBUPMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-15-1-3-17(4-2-15)28-19-13-23-8-5-18(19)27-20(28)14-11-24-21(25-12-14)26-16-6-9-29-10-7-16/h1-5,8,11-13,16H,6-7,9-10H2,(H,24,25,26).
What are the key properties of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 86268998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).