2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile

C17H16ClN5O — CID 170226697

IUPAC2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile
SMILESCn1cnc2ccc(C(CCN)Oc3cc(Cl)ccc3C#N)nc21
InChIInChI=1S/C17H16ClN5O/c1-23-10-21-14-5-4-13(22-17(14)23)15(6-7-19)24-16-8-12(18)3-2-11(16)9-20/h2-5,8,10,15H,6-7,19H2,1H3
InChIKeyBOVVRQXFWOHKAO-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.96
Rot. Bonds5

About 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile

2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile (PubChem CID 170226697) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile
PubChem CID170226697
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile
SMILESCn1cnc2ccc(C(CCN)Oc3cc(Cl)ccc3C#N)nc21
InChIInChI=1S/C17H16ClN5O/c1-23-10-21-14-5-4-13(22-17(14)23)15(6-7-19)24-16-8-12(18)3-2-11(16)9-20/h2-5,8,10,15H,6-7,19H2,1H3
InChIKeyBOVVRQXFWOHKAO-UHFFFAOYSA-N
XLogP2.96
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-amino-1-(1H-pyrazolo[5,4-b]pyridin-6-yl)propoxy]-4-chlorobenzonitrile
CID 170226666
4-chloro-2-[1-(2-methylpyrazolo[3,4-b]pyridin-6-yl)butoxy]benzonitrile
CID 170225602
4-chloro-2-[1-(1-methylpyrazolo[3,4-d]pyrimidin-6-yl)butoxy]benzonitrile
CID 170225592
4-chloro-2-[1-(2-methylpyrazolo[3,4-d]pyrimidin-6-yl)butoxy]benzonitrile
CID 170225590
4-chloro-2-(4-iodo-1-pyridin-2-ylbutoxy)benzonitrile
CID 22715185
4-chloro-2-[4-(ethylamino)-1-pyridin-2-ylbutoxy]benzonitrile
CID 10131541
4-chloro-2-[1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)butoxy]benzonitrile
CID 170225594
4-chloro-2-ethoxybenzonitrile
CID 22721189
(4-chloro-2-cyanophenyl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 167766080
ethyl 2-(5-chloro-2-cyanophenoxy)pentanoate
CID 83037721
2-[3-amino-1-(5-methyl-1,2-oxazol-3-yl)propoxy]-4-chloro-5-fluorobenzonitrile
CID 22489920
2-(4-chloro-2-methoxyphenyl)-9-methylpurine
CID 175396695

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile?
The IUPAC name of 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile (CID 170226697) is 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile?
The canonical SMILES for 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile is Cn1cnc2ccc(C(CCN)Oc3cc(Cl)ccc3C#N)nc21.
What is the InChIKey of 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile?
The InChIKey is BOVVRQXFWOHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-23-10-21-14-5-4-13(22-17(14)23)15(6-7-19)24-16-8-12(18)3-2-11(16)9-20/h2-5,8,10,15H,6-7,19H2,1H3.
What are the key properties of 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile?
2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile has a molecular weight of 341.80 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile is sourced from PubChem (CID 170226697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).