6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide

C26H22N4O — CID 90644655

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide
SMILESCCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1
InChIInChI=1S/C26H22N4O/c1-2-16-6-3-8-19(14-16)28-26(31)22-10-4-7-17-15-18(12-13-20(17)22)21-9-5-11-23-24(21)25(27)30-29-23/h3-15H,2H2,1H3,(H,28,31)(H3,27,29,30)
InChIKeyWPVPVCZYFQZIDO-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.78
Rot. Bonds4

About 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide (PubChem CID 90644655) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide
PubChem CID90644655
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide
SMILESCCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1
InChIInChI=1S/C26H22N4O/c1-2-16-6-3-8-19(14-16)28-26(31)22-10-4-7-17-15-18(12-13-20(17)22)21-9-5-11-23-24(21)25(27)30-29-23/h3-15H,2H2,1H3,(H,28,31)(H3,27,29,30)
InChIKeyWPVPVCZYFQZIDO-UHFFFAOYSA-N
XLogP5.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide (CID 90644655) is 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide is CCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide?
The InChIKey is WPVPVCZYFQZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-16-6-3-8-19(14-16)28-26(31)22-10-4-7-17-15-18(12-13-20(17)22)21-9-5-11-23-24(21)25(27)30-29-23/h3-15H,2H2,1H3,(H,28,31)(H3,27,29,30).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 5.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).