2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine

C22H14F3N5 — CID 20626293

IUPAC2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)14-10-11-18-16(12-14)21(30-29-18)28-20-15-8-4-5-9-17(15)26-19(27-20)13-6-2-1-3-7-13/h1-12H,(H2,26,27,28,29,30)
InChIKeyGJSYPXPQEIONEG-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.94
Rot. Bonds3

About 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine

2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (PubChem CID 20626293) has the molecular formula C22H14F3N5 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
PubChem CID20626293
Molecular FormulaC22H14F3N5
Molecular Weight405.38 g/mol
Exact Mass405.12
IUPAC Name2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)14-10-11-18-16(12-14)21(30-29-18)28-20-15-8-4-5-9-17(15)26-19(27-20)13-6-2-1-3-7-13/h1-12H,(H2,26,27,28,29,30)
InChIKeyGJSYPXPQEIONEG-UHFFFAOYSA-N
XLogP5.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The IUPAC name of 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (CID 20626293) is 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4)nc4ccccc34)c2c1.
What is the InChIKey of 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The InChIKey is GJSYPXPQEIONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5/c23-22(24,25)14-10-11-18-16(12-14)21(30-29-18)28-20-15-8-4-5-9-17(15)26-19(27-20)13-6-2-1-3-7-13/h1-12H,(H2,26,27,28,29,30).
What are the key properties of 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine has a molecular weight of 405.38 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 20626293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).