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

C25H26F2N4O4 — CID 154690784

IUPACethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)oc1C1CCOCC1
InChIInChI=1S/C25H26F2N4O4/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/h5,8,11-13,16,25H,4,6-7,9-10H2,1-3H3
InChIKeyBCZJPQKDOQJOOU-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.54
Rot. Bonds6

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

ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate (PubChem CID 154690784) has the molecular formula C25H26F2N4O4 and a molecular weight of 484.50 g/mol. Its IUPAC name is ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate
PubChem CID154690784
Molecular FormulaC25H26F2N4O4
Molecular Weight484.50 g/mol
Exact Mass484.19
IUPAC Nameethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)oc1C1CCOCC1
InChIInChI=1S/C25H26F2N4O4/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/h5,8,11-13,16,25H,4,6-7,9-10H2,1-3H3
InChIKeyBCZJPQKDOQJOOU-UHFFFAOYSA-N
XLogP5.54
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 2979291
2-Cyclohexyl-1,3,4-trimethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 5131399
Ethyl 5-(2,5-dimethylfuran-3-carboxamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797806
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
CID 10297820
6-(2,4-Dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 130278149
5-[3-Amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]furan-3-carboxylic acid
CID 137551933
Methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
CID 154690752
5-[3-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690756
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-carboxylic acid
CID 154690762
5-[3-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690778
Ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 154690788
2-[3-[1,5-Dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
CID 154690798

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-(oxan-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-(oxan-4-yl)furan-3-carboxylate (CID 154690784) is ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-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-(oxan-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-(oxan-4-yl)furan-3-carboxylate is CCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)oc1C1CCOCC1.
What is the InChIKey of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate?
The InChIKey is BCZJPQKDOQJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O4/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/h5,8,11-13,16,25H,4,6-7,9-10H2,1-3H3.
What are the key properties of ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate?
ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate has a molecular weight of 484.50 g/mol, XLogP of 5.54, 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-(oxan-4-yl)furan-3-carboxylate is sourced from PubChem (CID 154690784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).