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

C19H16F2N4O3 — CID 154690752

IUPACmethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)o1
InChIInChI=1S/C19H16F2N4O3/c1-10-17(11(2)25(23-10)19(20)21)13-9-22-24-7-6-12(8-14(13)24)15-4-5-16(28-15)18(26)27-3/h4-9,19H,1-3H3
InChIKeyXUJRJQVRNFVOIB-UHFFFAOYSA-N
MW386.36 g/mol
LogP4.26
Rot. Bonds4

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

methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate (PubChem CID 154690752) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
PubChem CID154690752
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Namemethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)o1
InChIInChI=1S/C19H16F2N4O3/c1-10-17(11(2)25(23-10)19(20)21)13-9-22-24-7-6-12(8-14(13)24)15-4-5-16(28-15)18(26)27-3/h4-9,19H,1-3H3
InChIKeyXUJRJQVRNFVOIB-UHFFFAOYSA-N
XLogP4.26
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate?
The IUPAC name of methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate (CID 154690752) is methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate is COC(=O)c1ccc(-c2ccn3ncc(-c4c(C)nn(C(F)F)c4C)c3c2)o1.
What is the InChIKey of methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate?
The InChIKey is XUJRJQVRNFVOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-10-17(11(2)25(23-10)19(20)21)13-9-22-24-7-6-12(8-14(13)24)15-4-5-16(28-15)18(26)27-3/h4-9,19H,1-3H3.
What are the key properties of methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate?
methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate has a molecular weight of 386.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate is sourced from PubChem (CID 154690752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).