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

C19H20N4O2S — CID 653778

IUPAC2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21
InChIInChI=1S/C19H20N4O2S/c1-25-16-9-3-2-8-15(16)23-18-14(7-6-10-20-18)21-19(23)26-13-17(24)22-11-4-5-12-22/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyOJZPANNMVJWRFD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.14
Rot. Bonds5

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

2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 653778) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID653778
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21
InChIInChI=1S/C19H20N4O2S/c1-25-16-9-3-2-8-15(16)23-18-14(7-6-10-20-18)21-19(23)26-13-17(24)22-11-4-5-12-22/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyOJZPANNMVJWRFD-UHFFFAOYSA-N
XLogP3.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone (CID 653778) is 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone is COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21.
What is the InChIKey of 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is OJZPANNMVJWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-16-9-3-2-8-15(16)23-18-14(7-6-10-20-18)21-19(23)26-13-17(24)22-11-4-5-12-22/h2-3,6-10H,4-5,11-13H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone?
2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 368.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 653778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).