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

C23H22N4O2S — CID 87050826

IUPAC[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C23H22N4O2S/c1-15-5-10-20(30-15)23(28)26-13-11-17(14-26)27-21(16-6-8-18(29-2)9-7-16)25-19-4-3-12-24-22(19)27/h3-10,12,17H,11,13-14H2,1-2H3
InChIKeyLITAXYYRVYODQP-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.56
Rot. Bonds4

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

[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 87050826) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID87050826
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C23H22N4O2S/c1-15-5-10-20(30-15)23(28)26-13-11-17(14-26)27-21(16-6-8-18(29-2)9-7-16)25-19-4-3-12-24-22(19)27/h3-10,12,17H,11,13-14H2,1-2H3
InChIKeyLITAXYYRVYODQP-UHFFFAOYSA-N
XLogP4.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 87050826) is [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(C)s3)C2)cc1.
What is the InChIKey of [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is LITAXYYRVYODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-5-10-20(30-15)23(28)26-13-11-17(14-26)27-21(16-6-8-18(29-2)9-7-16)25-19-4-3-12-24-22(19)27/h3-10,12,17H,11,13-14H2,1-2H3.
What are the key properties of [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 418.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 87050826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).