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

C22H13F4N5 — CID 69375232

IUPAC2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFc1ccccc1-c1nc(Nc2n[nH]c3ccc(C(F)(F)F)cc23)c2ccccc2n1
InChIInChI=1S/C22H13F4N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31)
InChIKeyXYWVDNRNHISJKD-UHFFFAOYSA-N
MW423.37 g/mol
LogP6.07
Rot. Bonds3

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

2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (PubChem CID 69375232) has the molecular formula C22H13F4N5 and a molecular weight of 423.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
PubChem CID69375232
Molecular FormulaC22H13F4N5
Molecular Weight423.37 g/mol
Exact Mass423.11
IUPAC Name2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFc1ccccc1-c1nc(Nc2n[nH]c3ccc(C(F)(F)F)cc23)c2ccccc2n1
InChIInChI=1S/C22H13F4N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31)
InChIKeyXYWVDNRNHISJKD-UHFFFAOYSA-N
XLogP6.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (CID 69375232) is 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is Fc1ccccc1-c1nc(Nc2n[nH]c3ccc(C(F)(F)F)cc23)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The InChIKey is XYWVDNRNHISJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31).
What are the key properties of 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine has a molecular weight of 423.37 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 69375232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).