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

C25H20N4O — CID 90644658

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1
InChIInChI=1S/C25H20N4O/c1-15-5-2-7-18(13-15)27-25(30)21-9-3-6-16-14-17(11-12-19(16)21)20-8-4-10-22-23(20)24(26)29-28-22/h2-14H,1H3,(H,27,30)(H3,26,28,29)
InChIKeyOOJAUWGTLQWVOW-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.53
Rot. Bonds3

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

6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide (PubChem CID 90644658) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide
PubChem CID90644658
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1
InChIInChI=1S/C25H20N4O/c1-15-5-2-7-18(13-15)27-25(30)21-9-3-6-16-14-17(11-12-19(16)21)20-8-4-10-22-23(20)24(26)29-28-22/h2-14H,1H3,(H,27,30)(H3,26,28,29)
InChIKeyOOJAUWGTLQWVOW-UHFFFAOYSA-N
XLogP5.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide (CID 90644658) is 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide is Cc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is OOJAUWGTLQWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-15-5-2-7-18(13-15)27-25(30)21-9-3-6-16-14-17(11-12-19(16)21)20-8-4-10-22-23(20)24(26)29-28-22/h2-14H,1H3,(H,27,30)(H3,26,28,29).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.53, 3 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-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).