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

C23H22N4O4 — CID 87050864

IUPAC(3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-29-18-8-7-15(13-20(18)30-2)23(28)26-11-9-16(14-26)27-21-17(5-3-10-24-21)25-22(27)19-6-4-12-31-19/h3-8,10,12-13,16H,9,11,14H2,1-2H3
InChIKeyFYUOUUWCXWEPGM-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.80
Rot. Bonds5

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

(3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050864) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050864
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name(3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-29-18-8-7-15(13-20(18)30-2)23(28)26-11-9-16(14-26)27-21-17(5-3-10-24-21)25-22(27)19-6-4-12-31-19/h3-8,10,12-13,16H,9,11,14H2,1-2H3
InChIKeyFYUOUUWCXWEPGM-UHFFFAOYSA-N
XLogP3.80
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050864) is (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(n3c(-c4ccco4)nc4cccnc43)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FYUOUUWCXWEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-29-18-8-7-15(13-20(18)30-2)23(28)26-11-9-16(14-26)27-21-17(5-3-10-24-21)25-22(27)19-6-4-12-31-19/h3-8,10,12-13,16H,9,11,14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 418.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).