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

C19H18N4O3 — CID 87054207

IUPAC1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21
InChIInChI=1S/C19H18N4O3/c1-22-17(21-14-3-2-7-20-18(14)22)13-6-8-23(10-13)19(24)12-4-5-15-16(9-12)26-11-25-15/h2-5,7,9,13H,6,8,10-11H2,1H3
InChIKeyIEPKTXSYFCYXSY-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.33
Rot. Bonds2

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

1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 87054207) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID87054207
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21
InChIInChI=1S/C19H18N4O3/c1-22-17(21-14-3-2-7-20-18(14)22)13-6-8-23(10-13)19(24)12-4-5-15-16(9-12)26-11-25-15/h2-5,7,9,13H,6,8,10-11H2,1H3
InChIKeyIEPKTXSYFCYXSY-UHFFFAOYSA-N
XLogP2.33
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4521392
CID 4521392
CID 16115747
CID 16115747
CID 10200390
CID 10200390
CID 397855
CID 397855
CID 16115745
CID 16115745
CID 16114868
CID 16114868
CID 16115746
CID 16115746
CID 16115748
CID 16115748
CID 16116562
CID 16116562
CID 45261470
CID 45261470
CID 4318279
CID 4318279
CID 3240486
CID 3240486

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 87054207) is 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is Cn1c(C2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cccnc21.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IEPKTXSYFCYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-17(21-14-3-2-7-20-18(14)22)13-6-8-23(10-13)19(24)12-4-5-15-16(9-12)26-11-25-15/h2-5,7,9,13H,6,8,10-11H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 350.38 g/mol, XLogP of 2.33, 2 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-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87054207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).