ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate

C18H17N3O2S — CID 143731557

IUPACethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cs1
InChIInChI=1S/C18H17N3O2S/c1-2-23-18(22)17-21-15(10-24-17)14-9-20-16-13(14)7-12(8-19-16)11-5-3-4-6-11/h5,7-10H,2-4,6H2,1H3,(H,19,20)
InChIKeyLVVXXPWBLPDVHL-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.43
Rot. Bonds4

About ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate

ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate (PubChem CID 143731557) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate
PubChem CID143731557
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Nameethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cs1
InChIInChI=1S/C18H17N3O2S/c1-2-23-18(22)17-21-15(10-24-17)14-9-20-16-13(14)7-12(8-19-16)11-5-3-4-6-11/h5,7-10H,2-4,6H2,1H3,(H,19,20)
InChIKeyLVVXXPWBLPDVHL-UHFFFAOYSA-N
XLogP4.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
CID 56912725
4-(diaminomethylideneamino)butyl 4-(1H-indol-3-yl)-1,3-thiazole-2-carboxylate
CID 44324899
3-(diaminomethylideneamino)propyl 4-(1H-indol-3-yl)-1,3-thiazole-2-carboxylate
CID 44324928
2-(5-fluoro-1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 145965905
2-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 145973314
2,6-dimethyl-4-((2-(thiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)morpholine
CID 54584736
2-[1-(2-Methoxyethyl)indol-3-yl]-4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 145964415
4-[1-(2-Methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-(1-methylindol-3-yl)-1,3-thiazole
CID 145967448
2-[1-(2-Methoxyethyl)indol-3-yl]-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 145975982
2-[1-(2-methoxyethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 145977512
4-[4-[5-fluoro-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]butyl]morpholine;hydrobromide
CID 168272266
4-[3-[5-fluoro-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]propyl]morpholine;hydrobromide
CID 168287683

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate (CID 143731557) is ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cs1.
What is the InChIKey of ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate?
The InChIKey is LVVXXPWBLPDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-18(22)17-21-15(10-24-17)14-9-20-16-13(14)7-12(8-19-16)11-5-3-4-6-11/h5,7-10H,2-4,6H2,1H3,(H,19,20).
What are the key properties of ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate?
ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(cyclopenten-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 143731557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).