methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C21H16FN3O3 — CID 25247958

IUPACmethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O3/c1-27-21(26)15-11-16(17-3-2-10-28-17)23-20-18(15)19(12-4-5-12)24-25(20)14-8-6-13(22)7-9-14/h2-3,6-12H,4-5H2,1H3
InChIKeyDDOYMACXNDYVDA-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.48
Rot. Bonds4

About methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247958) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247958
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Namemethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O3/c1-27-21(26)15-11-16(17-3-2-10-28-17)23-20-18(15)19(12-4-5-12)24-25(20)14-8-6-13(22)7-9-14/h2-3,6-12H,4-5H2,1H3
InChIKeyDDOYMACXNDYVDA-UHFFFAOYSA-N
XLogP4.48
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 25247958) is methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1.
What is the InChIKey of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is DDOYMACXNDYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-27-21(26)15-11-16(17-3-2-10-28-17)23-20-18(15)19(12-4-5-12)24-25(20)14-8-6-13(22)7-9-14/h2-3,6-12H,4-5H2,1H3.
What are the key properties of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).