1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide

C25H24ClN3O3 — CID 53084622

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1OC
InChIInChI=1S/C25H24ClN3O3/c1-3-32-23-11-6-18(12-24(23)31-2)14-27-25(30)19-7-8-20-15-28-29(22(20)13-19)16-17-4-9-21(26)10-5-17/h4-13,15H,3,14,16H2,1-2H3,(H,27,30)
InChIKeyMHVMHPRMNMIYFC-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.08
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 53084622) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID53084622
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1OC
InChIInChI=1S/C25H24ClN3O3/c1-3-32-23-11-6-18(12-24(23)31-2)14-27-25(30)19-7-8-20-15-28-29(22(20)13-19)16-17-4-9-21(26)10-5-17/h4-13,15H,3,14,16H2,1-2H3,(H,27,30)
InChIKeyMHVMHPRMNMIYFC-UHFFFAOYSA-N
XLogP5.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
CID 53084727
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 53084622) is 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide is CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1OC.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is MHVMHPRMNMIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-3-32-23-11-6-18(12-24(23)31-2)14-27-25(30)19-7-8-20-15-28-29(22(20)13-19)16-17-4-9-21(26)10-5-17/h4-13,15H,3,14,16H2,1-2H3,(H,27,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53084622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).