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

C35H30N6O2 — CID 129202984

IUPAC5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ccc(Cn2nc(N)c3ccc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)co4)cc32)cc1
InChIInChI=1S/C35H30N6O2/c1-22-7-11-24(12-8-22)19-40-30-6-4-3-5-29(30)34(39-40)37-35(42)27-18-32(43-21-27)26-15-16-28-31(17-26)41(38-33(28)36)20-25-13-9-23(2)10-14-25/h3-18,21H,19-20H2,1-2H3,(H2,36,38)(H,37,39,42)
InChIKeyWATKZRPUKUIQJJ-UHFFFAOYSA-N
MW566.67 g/mol
LogP7.19
Rot. Bonds7

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

5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 129202984) has the molecular formula C35H30N6O2 and a molecular weight of 566.67 g/mol. Its IUPAC name is 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID129202984
Molecular FormulaC35H30N6O2
Molecular Weight566.67 g/mol
Exact Mass566.24
IUPAC Name5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ccc(Cn2nc(N)c3ccc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)co4)cc32)cc1
InChIInChI=1S/C35H30N6O2/c1-22-7-11-24(12-8-22)19-40-30-6-4-3-5-29(30)34(39-40)37-35(42)27-18-32(43-21-27)26-15-16-28-31(17-26)41(38-33(28)36)20-25-13-9-23(2)10-14-25/h3-18,21H,19-20H2,1-2H3,(H2,36,38)(H,37,39,42)
InChIKeyWATKZRPUKUIQJJ-UHFFFAOYSA-N
XLogP7.19
TPSA103.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.67
LogP ≤ 57.19
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-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide (CID 129202984) is 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide is Cc1ccc(Cn2nc(N)c3ccc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)co4)cc32)cc1.
What is the InChIKey of 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is WATKZRPUKUIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N6O2/c1-22-7-11-24(12-8-22)19-40-30-6-4-3-5-29(30)34(39-40)37-35(42)27-18-32(43-21-27)26-15-16-28-31(17-26)41(38-33(28)36)20-25-13-9-23(2)10-14-25/h3-18,21H,19-20H2,1-2H3,(H2,36,38)(H,37,39,42).
What are the key properties of 5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide?
5-[3-amino-1-[(4-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 566.67 g/mol, XLogP of 7.19, 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-methylphenyl)methyl]indazol-6-yl]-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 129202984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).