5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide

C33H24ClFN6O2 — CID 146329887

IUPAC5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESNc1nn(Cc2ccc(Cl)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12
InChIInChI=1S/C33H24ClFN6O2/c34-24-10-5-20(6-11-24)18-41-29-15-22(9-14-26(29)31(36)38-41)30-16-23(19-43-30)33(42)37-32-27-3-1-2-4-28(27)40(39-32)17-21-7-12-25(35)13-8-21/h1-16,19H,17-18H2,(H2,36,38)(H,37,39,42)
InChIKeyXCOQTTSIOPGXEA-UHFFFAOYSA-N
MW591.05 g/mol
LogP7.37
Rot. Bonds7

About 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide

5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 146329887) has the molecular formula C33H24ClFN6O2 and a molecular weight of 591.05 g/mol. Its IUPAC name is 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID146329887
Molecular FormulaC33H24ClFN6O2
Molecular Weight591.05 g/mol
Exact Mass590.16
IUPAC Name5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESNc1nn(Cc2ccc(Cl)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12
InChIInChI=1S/C33H24ClFN6O2/c34-24-10-5-20(6-11-24)18-41-29-15-22(9-14-26(29)31(36)38-41)30-16-23(19-43-30)33(42)37-32-27-3-1-2-4-28(27)40(39-32)17-21-7-12-25(35)13-8-21/h1-16,19H,17-18H2,(H2,36,38)(H,37,39,42)
InChIKeyXCOQTTSIOPGXEA-UHFFFAOYSA-N
XLogP7.37
TPSA103.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.05
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (CID 146329887) is 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is Nc1nn(Cc2ccc(Cl)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12.
What is the InChIKey of 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is XCOQTTSIOPGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24ClFN6O2/c34-24-10-5-20(6-11-24)18-41-29-15-22(9-14-26(29)31(36)38-41)30-16-23(19-43-30)33(42)37-32-27-3-1-2-4-28(27)40(39-32)17-21-7-12-25(35)13-8-21/h1-16,19H,17-18H2,(H2,36,38)(H,37,39,42).
What are the key properties of 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 591.05 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-1-[(4-chlorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 146329887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).