2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine

C18H27N5 — CID 117163622

IUPAC2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCCC1Cc1nc2cccnc2n1C1CCNC1
InChIInChI=1S/C18H27N5/c1-2-22-11-4-3-6-14(22)12-17-21-16-7-5-9-20-18(16)23(17)15-8-10-19-13-15/h5,7,9,14-15,19H,2-4,6,8,10-13H2,1H3
InChIKeyXCRUKFFFVXWGOY-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.38
Rot. Bonds4

About 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine

2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117163622) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117163622
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCCC1Cc1nc2cccnc2n1C1CCNC1
InChIInChI=1S/C18H27N5/c1-2-22-11-4-3-6-14(22)12-17-21-16-7-5-9-20-18(16)23(17)15-8-10-19-13-15/h5,7,9,14-15,19H,2-4,6,8,10-13H2,1H3
InChIKeyXCRUKFFFVXWGOY-UHFFFAOYSA-N
XLogP2.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117163675
2-ethyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117165731
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine (CID 117163622) is 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine is CCN1CCCCC1Cc1nc2cccnc2n1C1CCNC1.
What is the InChIKey of 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is XCRUKFFFVXWGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-2-22-11-4-3-6-14(22)12-17-21-16-7-5-9-20-18(16)23(17)15-8-10-19-13-15/h5,7,9,14-15,19H,2-4,6,8,10-13H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117163622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).