2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

C18H27N5 — CID 117162877

IUPAC2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCCC1c1nc2cccnc2n1C1CCCN1C
InChIInChI=1S/C18H27N5/c1-3-22-13-5-4-9-15(22)18-20-14-8-6-11-19-17(14)23(18)16-10-7-12-21(16)2/h6,8,11,15-16H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyXMKLVCFLJIUOAF-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.20
Rot. Bonds3

About 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162877) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162877
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCCC1c1nc2cccnc2n1C1CCCN1C
InChIInChI=1S/C18H27N5/c1-3-22-13-5-4-9-15(22)18-20-14-8-6-11-19-17(14)23(18)16-10-7-12-21(16)2/h6,8,11,15-16H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyXMKLVCFLJIUOAF-UHFFFAOYSA-N
XLogP3.20
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752
2-ethyl-3-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117165751
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
2-[2-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162171
3-(1-methylpiperidin-2-yl)-2-propylimidazo[4,5-b]pyridine
CID 117165753
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-(1-methylpiperidin-2-yl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162893
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162877) is 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CCN1CCCCC1c1nc2cccnc2n1C1CCCN1C.
What is the InChIKey of 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is XMKLVCFLJIUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-3-22-13-5-4-9-15(22)18-20-14-8-6-11-19-17(14)23(18)16-10-7-12-21(16)2/h6,8,11,15-16H,3-5,7,9-10,12-13H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).