6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C25H17F3N4O — CID 90644673

IUPAC6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)16-5-2-6-17(13-16)30-24(33)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(29)32-31-21/h1-13H,(H,30,33)(H3,29,31,32)
InChIKeyYBNCMEUCGIRINC-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.24
Rot. Bonds3

About 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 90644673) has the molecular formula C25H17F3N4O and a molecular weight of 446.43 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID90644673
Molecular FormulaC25H17F3N4O
Molecular Weight446.43 g/mol
Exact Mass446.14
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)16-5-2-6-17(13-16)30-24(33)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(29)32-31-21/h1-13H,(H,30,33)(H3,29,31,32)
InChIKeyYBNCMEUCGIRINC-UHFFFAOYSA-N
XLogP6.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.24
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-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 90644673) is 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is YBNCMEUCGIRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O/c26-25(27,28)16-5-2-6-17(13-16)30-24(33)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(29)32-31-21/h1-13H,(H,30,33)(H3,29,31,32).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 6.24, 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-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90644673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).