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

C25H24F2N4O4 — CID 154690938

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

ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate (PubChem CID 154690938) has the molecular formula C25H24F2N4O4 and a molecular weight of 482.49 g/mol. Its IUPAC name is ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate
• PubChem CID: 154690938
• Molecular Formula: C25H24F2N4O4
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.18
• IUPAC Name: ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate
• SMILES: CCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)oc1C1=CCOCC1
• InChI: InChI=1S/C25H24F2N4O4/c1-4-34-24(32)18-12-21(35-23(18)16-6-9-33-10-7-16)17-5-8-30-20(11-17)19(13-28-30)22-14(2)29-31(15(22)3)25(26)27/h5-6,8,11-13,25H,4,7,9-10H2,1-3H3
• InChIKey: ZUXSURQSCJCOKG-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 83.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate?

The IUPAC name of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate (CID 154690938) is ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate.

What is the SMILES notation for ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate?

The canonical SMILES for ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate is CCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)oc1C1=CCOCC1.

What is the InChIKey of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate?

The InChIKey is ZUXSURQSCJCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4/c1-4-34-24(32)18-12-21(35-23(18)16-6-9-33-10-7-16)17-5-8-30-20(11-17)19(13-28-30)22-14(2)29-31(15(22)3)25(26)27/h5-6,8,11-13,25H,4,7,9-10H2,1-3H3.

What are the key properties of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate?

ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate has a molecular weight of 482.49 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylate is sourced from PubChem (CID 154690938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).