ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

C26H25F3N4O4 — CID 154690919

IUPACethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)oc1C1=CCOCC1
InChIInChI=1S/C26H25F3N4O4/c1-4-36-25(34)19-12-22(37-24(19)17-6-9-35-10-7-17)18-5-8-32-21(11-18)20(13-30-32)23-15(2)31-33(16(23)3)14-26(27,28)29/h5-6,8,11-13H,4,7,9-10,14H2,1-3H3
InChIKeyPKOBPJUFOLHMSJ-UHFFFAOYSA-N
MW514.50 g/mol
LogP5.62
Rot. Bonds6

About ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 154690919) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID154690919
Molecular FormulaC26H25F3N4O4
Molecular Weight514.50 g/mol
Exact Mass514.18
IUPAC Nameethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)oc1C1=CCOCC1
InChIInChI=1S/C26H25F3N4O4/c1-4-36-25(34)19-12-22(37-24(19)17-6-9-35-10-7-17)18-5-8-32-21(11-18)20(13-30-32)23-15(2)31-33(16(23)3)14-26(27,28)29/h5-6,8,11-13H,4,7,9-10,14H2,1-3H3
InChIKeyPKOBPJUFOLHMSJ-UHFFFAOYSA-N
XLogP5.62
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (CID 154690919) is ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is CCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)oc1C1=CCOCC1.
What is the InChIKey of ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is PKOBPJUFOLHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c1-4-36-25(34)19-12-22(37-24(19)17-6-9-35-10-7-17)18-5-8-32-21(11-18)20(13-30-32)23-15(2)31-33(16(23)3)14-26(27,28)29/h5-6,8,11-13H,4,7,9-10,14H2,1-3H3.
What are the key properties of ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 514.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 154690919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).