1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H13ClF3N3O — CID 29090970

IUPAC1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H13ClF3N3O/c1-11-17-14(19(21,22)23)9-15(16-6-3-7-27-16)24-18(17)26(25-11)10-12-4-2-5-13(20)8-12/h2-9H,10H2,1H3
InChIKeyWBJRJXPMVYVREH-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.72
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090970) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090970
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H13ClF3N3O/c1-11-17-14(19(21,22)23)9-15(16-6-3-7-27-16)24-18(17)26(25-11)10-12-4-2-5-13(20)8-12/h2-9H,10H2,1H3
InChIKeyWBJRJXPMVYVREH-UHFFFAOYSA-N
XLogP5.72
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090970) is 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WBJRJXPMVYVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c1-11-17-14(19(21,22)23)9-15(16-6-3-7-27-16)24-18(17)26(25-11)10-12-4-2-5-13(20)8-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 391.78 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).