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

C18H21N5 — CID 117164679

IUPAC3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(-c3cccnc3)nc3cccnc32)CC1
InChIInChI=1S/C18H21N5/c1-2-22-11-7-15(8-12-22)23-17(14-5-3-9-19-13-14)21-16-6-4-10-20-18(16)23/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3
InChIKeyAFDBDHFAYNSSRC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.15
Rot. Bonds3

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

3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117164679) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
PubChem CID117164679
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(-c3cccnc3)nc3cccnc32)CC1
InChIInChI=1S/C18H21N5/c1-2-22-11-7-15(8-12-22)23-17(14-5-3-9-19-13-14)21-16-6-4-10-20-18(16)23/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3
InChIKeyAFDBDHFAYNSSRC-UHFFFAOYSA-N
XLogP3.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
CID 117164175
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine (CID 117164679) is 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine is CCN1CCC(n2c(-c3cccnc3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is AFDBDHFAYNSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-22-11-7-15(8-12-22)23-17(14-5-3-9-19-13-14)21-16-6-4-10-20-18(16)23/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine?
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).