1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide

C25H24N4O2 — CID 68639909

IUPAC1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-17-8-14-20(15-9-17)26-24(30)23-21-6-4-5-7-22(21)29(27-23)16-18-10-12-19(13-11-18)25(31)28(2)3/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyAXSIBCXKAWYFDR-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.35
Rot. Bonds5

About 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide

1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide (PubChem CID 68639909) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide
PubChem CID68639909
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-17-8-14-20(15-9-17)26-24(30)23-21-6-4-5-7-22(21)29(27-23)16-18-10-12-19(13-11-18)25(31)28(2)3/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyAXSIBCXKAWYFDR-UHFFFAOYSA-N
XLogP4.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 8698562
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide
CID 59606884
1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 69029430
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
1-[(4-chlorophenyl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 34546638
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
2-[1-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid
CID 71571942
5-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 52713102
2-[1-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]indazol-3-yl]butanoic acid
CID 90450756
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide?
The IUPAC name of 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide (CID 68639909) is 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide?
The canonical SMILES for 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(Cc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide?
The InChIKey is AXSIBCXKAWYFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-8-14-20(15-9-17)26-24(30)23-21-6-4-5-7-22(21)29(27-23)16-18-10-12-19(13-11-18)25(31)28(2)3/h4-15H,16H2,1-3H3,(H,26,30).
What are the key properties of 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide?
1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 68639909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).