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

C18H27N5 — CID 117162257

IUPAC3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(Cn2c(C3CCCN3C)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-3-22-11-8-14(12-22)13-23-17-15(6-4-9-19-17)20-18(23)16-7-5-10-21(16)2/h4,6,9,14,16H,3,5,7-8,10-13H2,1-2H3
InChIKeyUGGYNBOIRMDSBB-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.54
Rot. Bonds4

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

3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162257) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162257
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(Cn2c(C3CCCN3C)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-3-22-11-8-14(12-22)13-23-17-15(6-4-9-19-17)20-18(23)16-7-5-10-21(16)2/h4,6,9,14,16H,3,5,7-8,10-13H2,1-2H3
InChIKeyUGGYNBOIRMDSBB-UHFFFAOYSA-N
XLogP2.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289670
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162442
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163017
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162257) is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CCN1CCC(Cn2c(C3CCCN3C)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is UGGYNBOIRMDSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-3-22-11-8-14(12-22)13-23-17-15(6-4-9-19-17)20-18(23)16-7-5-10-21(16)2/h4,6,9,14,16H,3,5,7-8,10-13H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).