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

C19H14ClF2N3O — CID 29090013

IUPAC1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C19H14ClF2N3O/c1-11-17-14(18(21)22)9-15(16-6-3-7-26-16)23-19(17)25(24-11)10-12-4-2-5-13(20)8-12/h2-9,18H,10H2,1H3
InChIKeyIDSWVACTFSSWFX-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.64
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29090013) has the molecular formula C19H14ClF2N3O and a molecular weight of 373.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29090013
Molecular FormulaC19H14ClF2N3O
Molecular Weight373.79 g/mol
Exact Mass373.08
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C19H14ClF2N3O/c1-11-17-14(18(21)22)9-15(16-6-3-7-26-16)23-19(17)25(24-11)10-12-4-2-5-13(20)8-12/h2-9,18H,10H2,1H3
InChIKeyIDSWVACTFSSWFX-UHFFFAOYSA-N
XLogP5.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.64
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]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine (CID 29090013) is 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)F)c12.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is IDSWVACTFSSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O/c1-11-17-14(18(21)22)9-15(16-6-3-7-26-16)23-19(17)25(24-11)10-12-4-2-5-13(20)8-12/h2-9,18H,10H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine?
1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 373.79 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).