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

C18H20N4OS — CID 53191179

IUPAC[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21
InChIInChI=1S/C18H20N4OS/c1-2-8-22-16(20-15-4-3-7-19-17(15)22)13-5-9-21(11-13)18(23)14-6-10-24-12-14/h3-4,6-7,10,12-13H,2,5,8-9,11H2,1H3
InChIKeyJMOMAHDNYANNKE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.53
Rot. Bonds4

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

[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53191179) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53191179
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21
InChIInChI=1S/C18H20N4OS/c1-2-8-22-16(20-15-4-3-7-19-17(15)22)13-5-9-21(11-13)18(23)14-6-10-24-12-14/h3-4,6-7,10,12-13H,2,5,8-9,11H2,1H3
InChIKeyJMOMAHDNYANNKE-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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Related Compounds

[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 95110108
(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
(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
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
(1-ethylpyrazol-3-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054273
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 53191198
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214

Frequently Asked Questions

What is the IUPAC name of [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 53191179) is [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is CCCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JMOMAHDNYANNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-8-22-16(20-15-4-3-7-19-17(15)22)13-5-9-21(11-13)18(23)14-6-10-24-12-14/h3-4,6-7,10,12-13H,2,5,8-9,11H2,1H3.
What are the key properties of [3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-(3-propylimidazo[4,5-b]pyridin-2-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-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53191179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).