4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol

C24H23F2N5O — CID 156557128

About 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol

4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol (PubChem CID 156557128) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol.

Molecular Properties

• Compound Name: 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol
• PubChem CID: 156557128
• Molecular Formula: C24H23F2N5O
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol
• SMILES: CC(=Cc1cc(F)cc(N(c2nc3nncn3c3ccc(F)cc23)C2CC2)c1)C(C)(C)O
• InChI: InChI=1S/C24H23F2N5O/c1-14(24(2,3)32)8-15-9-17(26)11-19(10-15)31(18-5-6-18)22-20-12-16(25)4-7-21(20)30-13-27-29-23(30)28-22/h4,7-13,18,32H,5-6H2,1-3H3
• InChIKey: UFHXFLCJJZQMPK-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 66.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol?

The IUPAC name of 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol (CID 156557128) is 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol.

What is the SMILES notation for 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol?

The canonical SMILES for 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol is CC(=Cc1cc(F)cc(N(c2nc3nncn3c3ccc(F)cc23)C2CC2)c1)C(C)(C)O.

What is the InChIKey of 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol?

The InChIKey is UFHXFLCJJZQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-14(24(2,3)32)8-15-9-17(26)11-19(10-15)31(18-5-6-18)22-20-12-16(25)4-7-21(20)30-13-27-29-23(30)28-22/h4,7-13,18,32H,5-6H2,1-3H3.

What are the key properties of 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol?

4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol has a molecular weight of 435.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[cyclopropyl-(7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]-5-fluorophenyl]-2,3-dimethylbut-3-en-2-ol is sourced from PubChem (CID 156557128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).