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

C33H24F2N6O2 — CID 166823191

IUPAC5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESNc1nn(Cc2ccc(F)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12
InChIInChI=1S/C33H24F2N6O2/c34-24-10-5-20(6-11-24)17-40-28-4-2-1-3-27(28)32(39-40)37-33(42)23-16-30(43-19-23)22-9-14-26-29(15-22)41(38-31(26)36)18-21-7-12-25(35)13-8-21/h1-16,19H,17-18H2,(H2,36,38)(H,37,39,42)
InChIKeyDSFWXQKHJFIIQF-UHFFFAOYSA-N
MW574.59 g/mol
LogP6.86
Rot. Bonds7

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

5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 166823191) has the molecular formula C33H24F2N6O2 and a molecular weight of 574.59 g/mol. Its IUPAC name is 5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID166823191
Molecular FormulaC33H24F2N6O2
Molecular Weight574.59 g/mol
Exact Mass574.19
IUPAC Name5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESNc1nn(Cc2ccc(F)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12
InChIInChI=1S/C33H24F2N6O2/c34-24-10-5-20(6-11-24)17-40-28-4-2-1-3-27(28)32(39-40)37-33(42)23-16-30(43-19-23)22-9-14-26-29(15-22)41(38-31(26)36)18-21-7-12-25(35)13-8-21/h1-16,19H,17-18H2,(H2,36,38)(H,37,39,42)
InChIKeyDSFWXQKHJFIIQF-UHFFFAOYSA-N
XLogP6.86
TPSA103.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.59
LogP ≤ 56.86
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-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (CID 166823191) is 5-[3-amino-1-[(4-fluorophenyl)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-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is Nc1nn(Cc2ccc(F)cc2)c2cc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)co3)ccc12.
What is the InChIKey of 5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is DSFWXQKHJFIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N6O2/c34-24-10-5-20(6-11-24)17-40-28-4-2-1-3-27(28)32(39-40)37-33(42)23-16-30(43-19-23)22-9-14-26-29(15-22)41(38-31(26)36)18-21-7-12-25(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-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
5-[3-amino-1-[(4-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 574.59 g/mol, XLogP of 6.86, 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-fluorophenyl)methyl]indazol-6-yl]-N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 166823191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).