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

C23H25N5O2S — CID 154690972

IUPACethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)nn(CC)c4C)c3c2)nc1C1CC1
InChIInChI=1S/C23H25N5O2S/c1-5-27-14(4)19(13(3)26-27)17-12-24-28-10-9-16(11-18(17)28)22-25-20(15-7-8-15)21(31-22)23(29)30-6-2/h9-12,15H,5-8H2,1-4H3
InChIKeyHXPZCURTVTVDLM-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.01
Rot. Bonds6

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

ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (PubChem CID 154690972) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
PubChem CID154690972
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Nameethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)nn(CC)c4C)c3c2)nc1C1CC1
InChIInChI=1S/C23H25N5O2S/c1-5-27-14(4)19(13(3)26-27)17-12-24-28-10-9-16(11-18(17)28)22-25-20(15-7-8-15)21(31-22)23(29)30-6-2/h9-12,15H,5-8H2,1-4H3
InChIKeyHXPZCURTVTVDLM-UHFFFAOYSA-N
XLogP5.01
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.01
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-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 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) is ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-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-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccn3ncc(-c4c(C)nn(CC)c4C)c3c2)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is HXPZCURTVTVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-5-27-14(4)19(13(3)26-27)17-12-24-28-10-9-16(11-18(17)28)22-25-20(15-7-8-15)21(31-22)23(29)30-6-2/h9-12,15H,5-8H2,1-4H3.
What are the key properties of ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 435.55 g/mol, XLogP of 5.01, 6 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-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154690972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).