[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

C18H20N4O2S — CID 95110214

IUPAC[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOCCn1c([C@H]2CCN(C(=O)c3cccs3)C2)nc2cccnc21
InChIInChI=1S/C18H20N4O2S/c1-24-10-9-22-16(20-14-4-2-7-19-17(14)22)13-6-8-21(12-13)18(23)15-5-3-11-25-15/h2-5,7,11,13H,6,8-10,12H2,1H3/t13-/m0/s1
InChIKeyFABSPSHYPWIVSL-ZDUSSCGKSA-N
MW356.45 g/mol
LogP2.77
Rot. Bonds5

About [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 95110214) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID95110214
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOCCn1c([C@H]2CCN(C(=O)c3cccs3)C2)nc2cccnc21
InChIInChI=1S/C18H20N4O2S/c1-24-10-9-22-16(20-14-4-2-7-19-17(14)22)13-6-8-21(12-13)18(23)15-5-3-11-25-15/h2-5,7,11,13H,6,8-10,12H2,1H3/t13-/m0/s1
InChIKeyFABSPSHYPWIVSL-ZDUSSCGKSA-N
XLogP2.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 95110202
(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054265
(5-chlorothiophen-2-yl)-[(3S)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110165
(5-chlorothiophen-2-yl)-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110164
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 97416540
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 95110108

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 95110214) is [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is COCCn1c([C@H]2CCN(C(=O)c3cccs3)C2)nc2cccnc21.
What is the InChIKey of [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FABSPSHYPWIVSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-24-10-9-22-16(20-14-4-2-7-19-17(14)22)13-6-8-21(12-13)18(23)15-5-3-11-25-15/h2-5,7,11,13H,6,8-10,12H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 356.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 95110214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).