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

C21H19ClN6O — CID 86268792

IUPAC5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine
SMILESClc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C21H19ClN6O/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)
InChIKeyJITQNKFCUIIFHE-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)pyrimidin-2-amine

5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 86268792) 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)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID86268792
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)pyrimidin-2-amine
SMILESClc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C21H19ClN6O/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)
InChIKeyJITQNKFCUIIFHE-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

Analyze 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

Ly2828360
CID 46833780
Diphenyl purine derivative 4
CID 72712999
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 53373594
1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 67383552
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 661700
6-{[(4-chlorophenyl)methyl]amino}-9-(pyridin-3-ylmethyl)-9H-purine-2-carbonitrile
CID 24778443
3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 49800150
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-propylurea
CID 155520181

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine (CID 86268792) is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine is Clc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is JITQNKFCUIIFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/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-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-2-amine?
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyrimidin-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)pyrimidin-2-amine is sourced from PubChem (CID 86268792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).