[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C23H22N4O3 — CID 87050869

IUPAC[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)c(C)c1
InChIInChI=1S/C23H22N4O3/c1-15-13-17(29-2)7-8-18(15)23(28)26-11-9-16(14-26)27-21-19(5-3-10-24-21)25-22(27)20-6-4-12-30-20/h3-8,10,12-13,16H,9,11,14H2,1-2H3
InChIKeyGSVOCBCJMDLROO-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.10
Rot. Bonds4

About [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 87050869) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID87050869
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)c(C)c1
InChIInChI=1S/C23H22N4O3/c1-15-13-17(29-2)7-8-18(15)23(28)26-11-9-16(14-26)27-21-19(5-3-10-24-21)25-22(27)20-6-4-12-30-20/h3-8,10,12-13,16H,9,11,14H2,1-2H3
InChIKeyGSVOCBCJMDLROO-UHFFFAOYSA-N
XLogP4.10
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 87050869) is [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)c(C)c1.
What is the InChIKey of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is GSVOCBCJMDLROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-13-17(29-2)7-8-18(15)23(28)26-11-9-16(14-26)27-21-19(5-3-10-24-21)25-22(27)20-6-4-12-30-20/h3-8,10,12-13,16H,9,11,14H2,1-2H3.
What are the key properties of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 402.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 87050869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).