5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile

C20H23N5O — CID 145286192

IUPAC5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile
SMILESCC(C)CC(C)COc1ccc(-c2ccnc3nc(N)[nH]c23)cc1C#N
InChIInChI=1S/C20H23N5O/c1-12(2)8-13(3)11-26-17-5-4-14(9-15(17)10-21)16-6-7-23-19-18(16)24-20(22)25-19/h4-7,9,12-13H,8,11H2,1-3H3,(H3,22,23,24,25)
InChIKeyFZVCKEGYNWAKMS-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.14
Rot. Bonds6

About 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile

5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile (PubChem CID 145286192) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile.

Molecular Properties

Compound Name5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile
PubChem CID145286192
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile
SMILESCC(C)CC(C)COc1ccc(-c2ccnc3nc(N)[nH]c23)cc1C#N
InChIInChI=1S/C20H23N5O/c1-12(2)8-13(3)11-26-17-5-4-14(9-15(17)10-21)16-6-7-23-19-18(16)24-20(22)25-19/h4-7,9,12-13H,8,11H2,1-3H3,(H3,22,23,24,25)
InChIKeyFZVCKEGYNWAKMS-UHFFFAOYSA-N
XLogP4.14
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile
CID 145286204
[1-[4-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135284555
methyl N-[4-[3-cyano-4-[(2R)-2,4-dimethylpentoxy]phenyl]-3-fluoro-2-pyridinyl]carbamate
CID 145286393
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)benzonitrile;7-bromo-2-methyl-1H-imidazo[4,5-b]pyridine
CID 158460179
[(4S)-5-[4-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl]-tert-butylcarbamic acid
CID 135284414
2-[(2S)-2-amino-4-methylpentoxy]-5-(2-methyl-4-pyridinyl)benzonitrile
CID 118420229
2-[(2R)-2,4-dimethylpentoxy]-5-(6-methoxypyrimidin-4-yl)benzonitrile
CID 146207844
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
CID 145286303
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186
2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
CID 146260374
1-[2-chloro-4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 137459412
tert-butyl carbamate;2-(2,4-dimethylpentoxy)-5-[2-(oxan-4-ylamino)-4-pyridinyl]benzonitrile
CID 145286318

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile?
The IUPAC name of 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile (CID 145286192) is 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile.
What is the SMILES notation for 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile?
The canonical SMILES for 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile is CC(C)CC(C)COc1ccc(-c2ccnc3nc(N)[nH]c23)cc1C#N.
What is the InChIKey of 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile?
The InChIKey is FZVCKEGYNWAKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(2)8-13(3)11-26-17-5-4-14(9-15(17)10-21)16-6-7-23-19-18(16)24-20(22)25-19/h4-7,9,12-13H,8,11H2,1-3H3,(H3,22,23,24,25).
What are the key properties of 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile?
5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile has a molecular weight of 349.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile is sourced from PubChem (CID 145286192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).