6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine

C24H17F3N6O — CID 71273702

IUPAC6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4ccccc4C(F)(F)F)[nH]n3)c2c1
InChIInChI=1S/C24H17F3N6O/c1-34-15-8-9-19-17(11-15)23(31-22(29-19)14-5-4-10-28-13-14)30-21-12-20(32-33-21)16-6-2-3-7-18(16)24(25,26)27/h2-13H,1H3,(H2,29,30,31,32,33)
InChIKeyZWZXQIJKSXOAPX-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.85
Rot. Bonds5

About 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine

6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine (PubChem CID 71273702) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine
PubChem CID71273702
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC Name6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4ccccc4C(F)(F)F)[nH]n3)c2c1
InChIInChI=1S/C24H17F3N6O/c1-34-15-8-9-19-17(11-15)23(31-22(29-19)14-5-4-10-28-13-14)30-21-12-20(32-33-21)16-6-2-3-7-18(16)24(25,26)27/h2-13H,1H3,(H2,29,30,31,32,33)
InChIKeyZWZXQIJKSXOAPX-UHFFFAOYSA-N
XLogP5.85
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine (CID 71273702) is 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(-c4ccccc4C(F)(F)F)[nH]n3)c2c1.
What is the InChIKey of 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine?
The InChIKey is ZWZXQIJKSXOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c1-34-15-8-9-19-17(11-15)23(31-22(29-19)14-5-4-10-28-13-14)30-21-12-20(32-33-21)16-6-2-3-7-18(16)24(25,26)27/h2-13H,1H3,(H2,29,30,31,32,33).
What are the key properties of 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine?
6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine has a molecular weight of 462.44 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-3-yl-N-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 71273702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).