2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

C17H26N4 — CID 117165834

IUPAC2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1CC1CCCNC1
InChIInChI=1S/C17H26N4/c1-17(2,3)10-15-20-14-7-5-9-19-16(14)21(15)12-13-6-4-8-18-11-13/h5,7,9,13,18H,4,6,8,10-12H2,1-3H3
InChIKeyVDBXIKMXRUMYHN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.02
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117165834) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117165834
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1CC1CCCNC1
InChIInChI=1S/C17H26N4/c1-17(2,3)10-15-20-14-7-5-9-19-16(14)21(15)12-13-6-4-8-18-11-13/h5,7,9,13,18H,4,6,8,10-12H2,1-3H3
InChIKeyVDBXIKMXRUMYHN-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223883
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117166070
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117165834) is 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is CC(C)(C)Cc1nc2cccnc2n1CC1CCCNC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is VDBXIKMXRUMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,3)10-15-20-14-7-5-9-19-16(14)21(15)12-13-6-4-8-18-11-13/h5,7,9,13,18H,4,6,8,10-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).