2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one

C17H24N4O — CID 53186816

IUPAC2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(n2c(C)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-4-13(5-2)17(22)20-10-8-14(11-20)21-12(3)19-15-7-6-9-18-16(15)21/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3
InChIKeyPJEZWVGNUZXOGV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.95
Rot. Bonds4

About 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one

2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 53186816) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID53186816
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(n2c(C)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O/c1-4-13(5-2)17(22)20-10-8-14(11-20)21-12(3)19-15-7-6-9-18-16(15)21/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3
InChIKeyPJEZWVGNUZXOGV-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one (CID 53186816) is 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(n2c(C)nc3cccnc32)C1.
What is the InChIKey of 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is PJEZWVGNUZXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-13(5-2)17(22)20-10-8-14(11-20)21-12(3)19-15-7-6-9-18-16(15)21/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one?
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 300.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 53186816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).