7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride

C17H25ClN4O — CID 174173990

IUPAC7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)CCN1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11-10-13(2-6-18-11)14-3-7-19-17-15(14)20-16(21-17)12-4-8-22-9-5-12;/h3,7,11-13,18H,2,4-6,8-10H2,1H3,(H,19,20,21);1H
InChIKeySSXFHLCTNHBCMW-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.13
Rot. Bonds2

About 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride

7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 174173990) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID174173990
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)CCN1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11-10-13(2-6-18-11)14-3-7-19-17-15(14)20-16(21-17)12-4-8-22-9-5-12;/h3,7,11-13,18H,2,4-6,8-10H2,1H3,(H,19,20,21);1H
InChIKeySSXFHLCTNHBCMW-UHFFFAOYSA-N
XLogP3.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 174173990) is 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride is CC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)CCN1.Cl.
What is the InChIKey of 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is SSXFHLCTNHBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-11-10-13(2-6-18-11)14-3-7-19-17-15(14)20-16(21-17)12-4-8-22-9-5-12;/h3,7,11-13,18H,2,4-6,8-10H2,1H3,(H,19,20,21);1H.
What are the key properties of 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 174173990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).