5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile

C14H12N6O — CID 11108726

IUPAC5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1ccc(-n2cnc3c(N)c(C#N)c(N)nc32)cc1
InChIInChI=1S/C14H12N6O/c1-21-9-4-2-8(3-5-9)20-7-18-12-11(16)10(6-15)13(17)19-14(12)20/h2-5,7H,1H3,(H4,16,17,19)
InChIKeyOLSBBWVZQLNKOC-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.47
Rot. Bonds2

About 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile

5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 11108726) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID11108726
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCOc1ccc(-n2cnc3c(N)c(C#N)c(N)nc32)cc1
InChIInChI=1S/C14H12N6O/c1-21-9-4-2-8(3-5-9)20-7-18-12-11(16)10(6-15)13(17)19-14(12)20/h2-5,7H,1H3,(H4,16,17,19)
InChIKeyOLSBBWVZQLNKOC-UHFFFAOYSA-N
XLogP1.47
TPSA115.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-(4-methoxyphenyl)-1H-purin-6-one
CID 135491131
6,8-diamino-3-imino-2-(3-methoxyphenyl)pyrido[3,2-c]pyridazine-4,7-dicarbonitrile
CID 134914275
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
CID 175875241
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 134126134
2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 10469515
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile (CID 11108726) is 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile is COc1ccc(-n2cnc3c(N)c(C#N)c(N)nc32)cc1.
What is the InChIKey of 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is OLSBBWVZQLNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-21-9-4-2-8(3-5-9)20-7-18-12-11(16)10(6-15)13(17)19-14(12)20/h2-5,7H,1H3,(H4,16,17,19).
What are the key properties of 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile?
5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 11108726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).