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

C20H20F2N6O3 — CID 154690874

IUPACethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)nc1OC
InChIInChI=1S/C20H20F2N6O3/c1-5-31-19(29)15-10-27(25-18(15)30-4)13-6-7-26-16(8-13)14(9-23-26)17-11(2)24-28(12(17)3)20(21)22/h6-10,20H,5H2,1-4H3
InChIKeyBWMMGZVQLFLDIY-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.58
Rot. Bonds6

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

ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate (PubChem CID 154690874) has the molecular formula C20H20F2N6O3 and a molecular weight of 430.42 g/mol. Its IUPAC name is ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
PubChem CID154690874
Molecular FormulaC20H20F2N6O3
Molecular Weight430.42 g/mol
Exact Mass430.16
IUPAC Nameethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)nc1OC
InChIInChI=1S/C20H20F2N6O3/c1-5-31-19(29)15-10-27(25-18(15)30-4)13-6-7-26-16(8-13)14(9-23-26)17-11(2)24-28(12(17)3)20(21)22/h6-10,20H,5H2,1-4H3
InChIKeyBWMMGZVQLFLDIY-UHFFFAOYSA-N
XLogP3.58
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
CID 154690953
ethyl 1-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 154690934
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]pyrazole-4-carboxylate
CID 154690893
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
2-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-4-ethoxy-1,3-thiazole-5-carboxylic acid
CID 154690797
ethyl 1-[3-bromo-4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
CID 163209376
ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 154690824
4-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 154690819
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 1-[4-(difluoromethoxy)-3,5-diphenylphenyl]-3-methylpyrazole-4-carboxylate
CID 155311255
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 4-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690936

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate (CID 154690874) is ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)nc1OC.
What is the InChIKey of ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
The InChIKey is BWMMGZVQLFLDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O3/c1-5-31-19(29)15-10-27(25-18(15)30-4)13-6-7-26-16(8-13)14(9-23-26)17-11(2)24-28(12(17)3)20(21)22/h6-10,20H,5H2,1-4H3.
What are the key properties of ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate?
ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate has a molecular weight of 430.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 154690874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).