N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide

C27H29N3O3 — CID 53084727

IUPACN-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OCC
InChIInChI=1S/C27H29N3O3/c1-4-32-25-13-10-21(14-26(25)33-5-2)16-28-27(31)22-11-12-23-17-29-30(24(23)15-22)18-20-8-6-19(3)7-9-20/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31)
InChIKeyCRRZIWYDFFUITI-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.12
Rot. Bonds9

About N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide

N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide (PubChem CID 53084727) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
PubChem CID53084727
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OCC
InChIInChI=1S/C27H29N3O3/c1-4-32-25-13-10-21(14-26(25)33-5-2)16-28-27(31)22-11-12-23-17-29-30(24(23)15-22)18-20-8-6-19(3)7-9-20/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31)
InChIKeyCRRZIWYDFFUITI-UHFFFAOYSA-N
XLogP5.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084622
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
CID 53034406
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53022332
N-[(3,4-diethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 99997707
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide (CID 53084727) is N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide is CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The InChIKey is CRRZIWYDFFUITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-32-25-13-10-21(14-26(25)33-5-2)16-28-27(31)22-11-12-23-17-29-30(24(23)15-22)18-20-8-6-19(3)7-9-20/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53084727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).