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

C23H22N4O2 — CID 87050832

IUPAC(3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1C
InChIInChI=1S/C23H22N4O2/c1-15-5-6-17(12-16(15)2)23(28)26-10-7-19(13-26)27-21(18-8-11-29-14-18)25-20-4-3-9-24-22(20)27/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3
InChIKeyIRMJZSUMXZBOMN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.40
Rot. Bonds3

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

(3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050832) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050832
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1C
InChIInChI=1S/C23H22N4O2/c1-15-5-6-17(12-16(15)2)23(28)26-10-7-19(13-26)27-21(18-8-11-29-14-18)25-20-4-3-9-24-22(20)27/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3
InChIKeyIRMJZSUMXZBOMN-UHFFFAOYSA-N
XLogP4.40
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050832) is (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is IRMJZSUMXZBOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-5-6-17(12-16(15)2)23(28)26-10-7-19(13-26)27-21(18-8-11-29-14-18)25-20-4-3-9-24-22(20)27/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).