6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C23H16ClFN6 — CID 118437788

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)n1
InChIInChI=1S/C23H16ClFN6/c1-31-10-8-21(30-31)29-23-18-11-14(4-7-20(18)27-13-28-23)16-3-2-9-26-22(16)17-12-15(24)5-6-19(17)25/h2-13H,1H3,(H,27,28,29,30)
InChIKeyXSNOELNAOLCPLF-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.63
Rot. Bonds4

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 118437788) has the molecular formula C23H16ClFN6 and a molecular weight of 430.87 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID118437788
Molecular FormulaC23H16ClFN6
Molecular Weight430.87 g/mol
Exact Mass430.11
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)n1
InChIInChI=1S/C23H16ClFN6/c1-31-10-8-21(30-31)29-23-18-11-14(4-7-20(18)27-13-28-23)16-3-2-9-26-22(16)17-12-15(24)5-6-19(17)25/h2-13H,1H3,(H,27,28,29,30)
InChIKeyXSNOELNAOLCPLF-UHFFFAOYSA-N
XLogP5.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 118437788) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)n1.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is XSNOELNAOLCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6/c1-31-10-8-21(30-31)29-23-18-11-14(4-7-20(18)27-13-28-23)16-3-2-9-26-22(16)17-12-15(24)5-6-19(17)25/h2-13H,1H3,(H,27,28,29,30).
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 430.87 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 118437788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).