8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C21H17F3N6 — CID 56848870

About 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 56848870) has the molecular formula C21H17F3N6 and a molecular weight of 410.40 g/mol. Its IUPAC name is 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• PubChem CID: 56848870
• Molecular Formula: C21H17F3N6
• Molecular Weight: 410.40 g/mol
• Exact Mass: 410.15
• IUPAC Name: 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(C4CC4)cccc23)n[nH]1
• InChI: InChI=1S/C21H17F3N6/c1-11-9-17(30-29-11)26-19-15-4-2-3-14(12-5-6-12)18(15)27-20(28-19)21(23,24)16-8-7-13(22)10-25-16/h2-4,7-10,12H,5-6H2,1H3,(H2,26,27,28,29,30)
• InChIKey: GEADPOFVBCFLNQ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.40
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The IUPAC name of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 56848870) is 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

What is the SMILES notation for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The canonical SMILES for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c(C4CC4)cccc23)n[nH]1.

What is the InChIKey of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The InChIKey is GEADPOFVBCFLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6/c1-11-9-17(30-29-11)26-19-15-4-2-3-14(12-5-6-12)18(15)27-20(28-19)21(23,24)16-8-7-13(22)10-25-16/h2-4,7-10,12H,5-6H2,1H3,(H2,26,27,28,29,30).

What are the key properties of 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 410.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 56848870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).