2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

C16H24N4 — CID 117165786

IUPAC2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1CC1CCCN1C(C)C
InChIInChI=1S/C16H24N4/c1-4-15-18-14-8-5-9-17-16(14)20(15)11-13-7-6-10-19(13)12(2)3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3
InChIKeyCTYAIOFKHSTUFY-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.87
Rot. Bonds4

About 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165786) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165786
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1CC1CCCN1C(C)C
InChIInChI=1S/C16H24N4/c1-4-15-18-14-8-5-9-17-16(14)20(15)11-13-7-6-10-19(13)12(2)3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3
InChIKeyCTYAIOFKHSTUFY-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166431
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163296
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117165786) is 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is CCc1nc2cccnc2n1CC1CCCN1C(C)C.
What is the InChIKey of 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is CTYAIOFKHSTUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-15-18-14-8-5-9-17-16(14)20(15)11-13-7-6-10-19(13)12(2)3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).