(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C17H19N3O2S — CID 72896225

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCCC1c1nccs1)CCC2
InChIInChI=1S/C17H19N3O2S/c1-22-15-12(10-11-4-2-5-13(11)19-15)17(21)20-8-3-6-14(20)16-18-7-9-23-16/h7,9-10,14H,2-6,8H2,1H3
InChIKeyARKKZNAIOJCWQW-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.01
Rot. Bonds3

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 72896225) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID72896225
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCCC1c1nccs1)CCC2
InChIInChI=1S/C17H19N3O2S/c1-22-15-12(10-11-4-2-5-13(11)19-15)17(21)20-8-3-6-14(20)16-18-7-9-23-16/h7,9-10,14H,2-6,8H2,1H3
InChIKeyARKKZNAIOJCWQW-UHFFFAOYSA-N
XLogP3.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95862321
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 72878224
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 72939151
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 122131298
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 97113772
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 133112571
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 72896225) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is COc1nc2c(cc1C(=O)N1CCCC1c1nccs1)CCC2.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ARKKZNAIOJCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-22-15-12(10-11-4-2-5-13(11)19-15)17(21)20-8-3-6-14(20)16-18-7-9-23-16/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 329.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).