ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate

C21H20N4O3S — CID 154690740

IUPACethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1C1CC1
InChIInChI=1S/C21H20N4O3S/c1-4-27-21(26)19-18(13-5-6-13)23-20(29-19)14-7-8-25-16(9-14)15(10-22-25)17-11(2)24-28-12(17)3/h7-10,13H,4-6H2,1-3H3
InChIKeyUIPVQBGWEYTZHS-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.78
Rot. Bonds5

About ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate

ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (PubChem CID 154690740) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
PubChem CID154690740
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Nameethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1C1CC1
InChIInChI=1S/C21H20N4O3S/c1-4-27-21(26)19-18(13-5-6-13)23-20(29-19)14-7-8-25-16(9-14)15(10-22-25)17-11(2)24-28-12(17)3/h7-10,13H,4-6H2,1-3H3
InChIKeyUIPVQBGWEYTZHS-UHFFFAOYSA-N
XLogP4.78
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (CID 154690740) is ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is UIPVQBGWEYTZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-4-27-21(26)19-18(13-5-6-13)23-20(29-19)14-7-8-25-16(9-14)15(10-22-25)17-11(2)24-28-12(17)3/h7-10,13H,4-6H2,1-3H3.
What are the key properties of ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 408.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154690740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).