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

C25H25N3O3 — CID 95073129

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4cccc(OC)c4)cc32)c1
InChIInChI=1S/C25H25N3O3/c1-17(19-7-5-9-23(13-19)31-3)27-25(29)20-10-11-21-15-26-28(24(21)14-20)16-18-6-4-8-22(12-18)30-2/h4-15,17H,16H2,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyOZZJOOCNPSTPAP-KRWDZBQOSA-N
MW415.49 g/mol
LogP4.59
Rot. Bonds7

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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 95073129) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID95073129
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4cccc(OC)c4)cc32)c1
InChIInChI=1S/C25H25N3O3/c1-17(19-7-5-9-23(13-19)31-3)27-25(29)20-10-11-21-15-26-28(24(21)14-20)16-18-6-4-8-22(12-18)30-2/h4-15,17H,16H2,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyOZZJOOCNPSTPAP-KRWDZBQOSA-N
XLogP4.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073131
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
CID 53034352
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 95073129) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4cccc(OC)c4)cc32)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is OZZJOOCNPSTPAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(19-7-5-9-23(13-19)31-3)27-25(29)20-10-11-21-15-26-28(24(21)14-20)16-18-6-4-8-22(12-18)30-2/h4-15,17H,16H2,1-3H3,(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 95073129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).