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

C21H19ClN6O — CID 86268580

IUPAC5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine
SMILESClc1ccc(-n2c(-c3cnc(NC4CCOCC4)cn3)nc3ccncc32)cc1
InChIInChI=1S/C21H19ClN6O/c22-14-1-3-16(4-2-14)28-19-12-23-8-5-17(19)27-21(28)18-11-25-20(13-24-18)26-15-6-9-29-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,25,26)
InChIKeyQYUMRZWNBYQATO-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.12
Rot. Bonds4

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

5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine (PubChem CID 86268580) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine
PubChem CID86268580
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine
SMILESClc1ccc(-n2c(-c3cnc(NC4CCOCC4)cn3)nc3ccncc32)cc1
InChIInChI=1S/C21H19ClN6O/c22-14-1-3-16(4-2-14)28-19-12-23-8-5-17(19)27-21(28)18-11-25-20(13-24-18)26-15-6-9-29-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,25,26)
InChIKeyQYUMRZWNBYQATO-UHFFFAOYSA-N
XLogP4.12
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine?
The IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine (CID 86268580) is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine?
The canonical SMILES for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine is Clc1ccc(-n2c(-c3cnc(NC4CCOCC4)cn3)nc3ccncc32)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine?
The InChIKey is QYUMRZWNBYQATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c22-14-1-3-16(4-2-14)28-19-12-23-8-5-17(19)27-21(28)18-11-25-20(13-24-18)26-15-6-9-29-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,25,26).
What are the key properties of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine?
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine has a molecular weight of 406.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrazin-2-amine is sourced from PubChem (CID 86268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).