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

C18H20N4OS — CID 53186759

IUPAC[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H20N4OS/c1-2-4-16-20-15-5-3-8-19-17(15)22(16)14-6-9-21(11-14)18(23)13-7-10-24-12-13/h3,5,7-8,10,12,14H,2,4,6,9,11H2,1H3
InChIKeyAJHKQYGDDKWRCK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.53
Rot. Bonds4

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

[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53186759) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53186759
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H20N4OS/c1-2-4-16-20-15-5-3-8-19-17(15)22(16)14-6-9-21(11-14)18(23)13-7-10-24-12-13/h3,5,7-8,10,12,14H,2,4,6,9,11H2,1H3
InChIKeyAJHKQYGDDKWRCK-UHFFFAOYSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 53186759) is [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is CCCc1nc2cccnc2n1C1CCN(C(=O)c2ccsc2)C1.
What is the InChIKey of [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is AJHKQYGDDKWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-4-16-20-15-5-3-8-19-17(15)22(16)14-6-9-21(11-14)18(23)13-7-10-24-12-13/h3,5,7-8,10,12,14H,2,4,6,9,11H2,1H3.
What are the key properties of [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53186759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).