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

C13H19N5 — CID 79289670

IUPAC3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCCN1CCC(Cn2c(N)nc3cccnc32)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-5-10(8-17)9-18-12-11(16-13(18)14)4-3-6-15-12/h3-4,6,10H,2,5,7-9H2,1H3,(H2,14,16)
InChIKeyUHPXJFPMMQLHAJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.36
Rot. Bonds3

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

3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289670) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79289670
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCCN1CCC(Cn2c(N)nc3cccnc32)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-5-10(8-17)9-18-12-11(16-13(18)14)4-3-6-15-12/h3-4,6,10H,2,5,7-9H2,1H3,(H2,14,16)
InChIKeyUHPXJFPMMQLHAJ-UHFFFAOYSA-N
XLogP1.36
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138771
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
3-[(1-ethylpiperidin-3-yl)methyl]-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162442
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 65346977
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79289670) is 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is CCN1CCC(Cn2c(N)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UHPXJFPMMQLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-17-7-5-10(8-17)9-18-12-11(16-13(18)14)4-3-6-15-12/h3-4,6,10H,2,5,7-9H2,1H3,(H2,14,16).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).