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

C19H16F2N4O3S — CID 154690936

IUPACethyl 4-(difluoromethyl)-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)nc1C(F)F
InChIInChI=1S/C19H16F2N4O3S/c1-4-27-19(26)16-15(17(20)21)23-18(29-16)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-28-10(14)3/h5-8,17H,4H2,1-3H3
InChIKeyBDYMXBLJTLDMKK-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.84
Rot. Bonds5

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

ethyl 4-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (PubChem CID 154690936) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-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-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
PubChem CID154690936
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Nameethyl 4-(difluoromethyl)-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)nc1C(F)F
InChIInChI=1S/C19H16F2N4O3S/c1-4-27-19(26)16-15(17(20)21)23-18(29-16)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-28-10(14)3/h5-8,17H,4H2,1-3H3
InChIKeyBDYMXBLJTLDMKK-UHFFFAOYSA-N
XLogP4.84
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690972
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]pyrazole-4-carboxylate
CID 154690893
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
CID 154690953
methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate
CID 154690969
2-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-4-ethoxy-1,3-thiazole-5-carboxylic acid
CID 154690797
4-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 154690819
4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
CID 154690971
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 154690926
ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 154690824
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
CID 154690874

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-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-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (CID 154690936) is ethyl 4-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-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 BDYMXBLJTLDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c1-4-27-19(26)16-15(17(20)21)23-18(29-16)11-5-6-25-13(7-11)12(8-22-25)14-9(2)24-28-10(14)3/h5-8,17H,4H2,1-3H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-(difluoromethyl)-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 418.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-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 154690936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).