3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine

C18H26N4O — CID 117161912

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1c(C2CCCOC2)nc2cccnc21
InChIInChI=1S/C18H26N4O/c1-2-21-10-4-7-15(21)12-22-17(14-6-5-11-23-13-14)20-16-8-3-9-19-18(16)22/h3,8-9,14-15H,2,4-7,10-13H2,1H3
InChIKeyBPTIGQBRSADMAE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.81
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161912) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161912
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1c(C2CCCOC2)nc2cccnc21
InChIInChI=1S/C18H26N4O/c1-2-21-10-4-7-15(21)12-22-17(14-6-5-11-23-13-14)20-16-8-3-9-19-18(16)22/h3,8-9,14-15H,2,4-7,10-13H2,1H3
InChIKeyBPTIGQBRSADMAE-UHFFFAOYSA-N
XLogP2.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166193
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 117161912) is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine is CCN1CCCC1Cn1c(C2CCCOC2)nc2cccnc21.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is BPTIGQBRSADMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-21-10-4-7-15(21)12-22-17(14-6-5-11-23-13-14)20-16-8-3-9-19-18(16)22/h3,8-9,14-15H,2,4-7,10-13H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).