N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

C26H27N3O4 — CID 95073131

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(OC)c4)cc32)c1
InChIInChI=1S/C26H27N3O4/c1-17(19-10-11-24(32-3)25(14-19)33-4)28-26(30)20-8-9-21-15-27-29(23(21)13-20)16-18-6-5-7-22(12-18)31-2/h5-15,17H,16H2,1-4H3,(H,28,30)/t17-/m0/s1
InChIKeyQPSLYECXTRGEOQ-KRWDZBQOSA-N
MW445.52 g/mol
LogP4.60
Rot. Bonds8

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 95073131) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID95073131
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(OC)c4)cc32)c1
InChIInChI=1S/C26H27N3O4/c1-17(19-10-11-24(32-3)25(14-19)33-4)28-26(30)20-8-9-21-15-27-29(23(21)13-20)16-18-6-5-7-22(12-18)31-2/h5-15,17H,16H2,1-4H3,(H,28,30)/t17-/m0/s1
InChIKeyQPSLYECXTRGEOQ-KRWDZBQOSA-N
XLogP4.60
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 95073157
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 95073131) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(OC)c4)cc32)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is QPSLYECXTRGEOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17(19-10-11-24(32-3)25(14-19)33-4)28-26(30)20-8-9-21-15-27-29(23(21)13-20)16-18-6-5-7-22(12-18)31-2/h5-15,17H,16H2,1-4H3,(H,28,30)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 95073131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).