N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide

C27H22N4O2 — CID 155538177

IUPACN-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]nc(-c3cccc(C(=O)NCc4cccc5ccccc45)c3)c2c1
InChIInChI=1S/C27H22N4O2/c1-28-26(32)20-12-13-24-23(15-20)25(31-30-24)18-8-5-9-19(14-18)27(33)29-16-21-10-4-7-17-6-2-3-11-22(17)21/h2-15H,16H2,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyXFFQXAAMEPBCMG-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.67
Rot. Bonds5

About N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide

N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide (PubChem CID 155538177) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide
PubChem CID155538177
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]nc(-c3cccc(C(=O)NCc4cccc5ccccc45)c3)c2c1
InChIInChI=1S/C27H22N4O2/c1-28-26(32)20-12-13-24-23(15-20)25(31-30-24)18-8-5-9-19(14-18)27(33)29-16-21-10-4-7-17-6-2-3-11-22(17)21/h2-15H,16H2,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyXFFQXAAMEPBCMG-UHFFFAOYSA-N
XLogP4.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide (CID 155538177) is N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide is CNC(=O)c1ccc2[nH]nc(-c3cccc(C(=O)NCc4cccc5ccccc45)c3)c2c1.
What is the InChIKey of N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is XFFQXAAMEPBCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-28-26(32)20-12-13-24-23(15-20)25(31-30-24)18-8-5-9-19(14-18)27(33)29-16-21-10-4-7-17-6-2-3-11-22(17)21/h2-15H,16H2,1H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide?
N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 155538177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).