1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C20H20N4O3 — CID 87054241

IUPAC1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21
InChIInChI=1S/C20H20N4O3/c1-2-24-18(22-15-4-3-8-21-19(15)24)14-7-9-23(11-14)20(25)13-5-6-16-17(10-13)27-12-26-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3
InChIKeyTZZBWJHBYXGYBC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.81
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 87054241) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID87054241
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21
InChIInChI=1S/C20H20N4O3/c1-2-24-18(22-15-4-3-8-21-19(15)24)14-7-9-23(11-14)20(25)13-5-6-16-17(10-13)27-12-26-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3
InChIKeyTZZBWJHBYXGYBC-UHFFFAOYSA-N
XLogP2.81
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 87054241) is 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is CCn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is TZZBWJHBYXGYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-24-18(22-15-4-3-8-21-19(15)24)14-7-9-23(11-14)20(25)13-5-6-16-17(10-13)27-12-26-16/h3-6,8,10,14H,2,7,9,11-12H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87054241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).