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

C19H19N5O4 — CID 154690953

IUPACethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1OC
InChIInChI=1S/C19H19N5O4/c1-5-27-19(25)15-10-24(21-18(15)26-4)13-6-7-23-16(8-13)14(9-20-23)17-11(2)22-28-12(17)3/h6-10H,5H2,1-4H3
InChIKeyIGKXABGFSUHHOS-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.98
Rot. Bonds5

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

ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate (PubChem CID 154690953) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
PubChem CID154690953
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Nameethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1OC
InChIInChI=1S/C19H19N5O4/c1-5-27-19(25)15-10-24(21-18(15)26-4)13-6-7-23-16(8-13)14(9-20-23)17-11(2)22-28-12(17)3/h6-10H,5H2,1-4H3
InChIKeyIGKXABGFSUHHOS-UHFFFAOYSA-N
XLogP2.98
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate (CID 154690953) is ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)noc4C)c3c2)nc1OC.
What is the InChIKey of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The InChIKey is IGKXABGFSUHHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-5-27-19(25)15-10-24(21-18(15)26-4)13-6-7-23-16(8-13)14(9-20-23)17-11(2)22-28-12(17)3/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 154690953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).