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

C19H16F2N4O4S — CID 154690859

IUPACethyl 4-(difluoromethoxy)-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)nc1OC(F)F
InChIInChI=1S/C19H16F2N4O4S/c1-4-27-18(26)15-16(28-19(20)21)23-17(30-15)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-29-10(14)3/h5-8,19H,4H2,1-3H3
InChIKeyPYIOHVJGMZZLJZ-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.51
Rot. Bonds6

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

ethyl 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (PubChem CID 154690859) has the molecular formula C19H16F2N4O4S and a molecular weight of 434.42 g/mol. Its IUPAC name is ethyl 4-(difluoromethoxy)-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-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
PubChem CID154690859
Molecular FormulaC19H16F2N4O4S
Molecular Weight434.42 g/mol
Exact Mass434.09
IUPAC Nameethyl 4-(difluoromethoxy)-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)nc1OC(F)F
InChIInChI=1S/C19H16F2N4O4S/c1-4-27-18(26)15-16(28-19(20)21)23-17(30-15)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-29-10(14)3/h5-8,19H,4H2,1-3H3
InChIKeyPYIOHVJGMZZLJZ-UHFFFAOYSA-N
XLogP4.51
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethoxy)-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-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (CID 154690859) is ethyl 4-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-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)nc1OC(F)F.
What is the InChIKey of ethyl 4-(difluoromethoxy)-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 PYIOHVJGMZZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O4S/c1-4-27-18(26)15-16(28-19(20)21)23-17(30-15)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-29-10(14)3/h5-8,19H,4H2,1-3H3.
What are the key properties of ethyl 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-(difluoromethoxy)-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 434.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethoxy)-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 154690859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).