2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

C20H16F2N6O2 — CID 146591961

About 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (PubChem CID 146591961) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
• PubChem CID: 146591961
• Molecular Formula: C20H16F2N6O2
• Molecular Weight: 410.38 g/mol
• Exact Mass: 410.13
• IUPAC Name: 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
• SMILES: CC(Oc1cc2cc(C(N)=O)c(F)cc2nc1N)c1ncc(F)cc1-n1cccn1
• InChI: InChI=1S/C20H16F2N6O2/c1-10(18-16(7-12(21)9-25-18)28-4-2-3-26-28)30-17-6-11-5-13(20(24)29)14(22)8-15(11)27-19(17)23/h2-10H,1H3,(H2,23,27)(H2,24,29)
• InChIKey: YJMLJYGHNOCQSC-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 121.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.38
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?

The IUPAC name of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (CID 146591961) is 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is CC(Oc1cc2cc(C(N)=O)c(F)cc2nc1N)c1ncc(F)cc1-n1cccn1.

What is the InChIKey of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?

The InChIKey is YJMLJYGHNOCQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-10(18-16(7-12(21)9-25-18)28-4-2-3-26-28)30-17-6-11-5-13(20(24)29)14(22)8-15(11)27-19(17)23/h2-10H,1H3,(H2,23,27)(H2,24,29).

What are the key properties of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?

2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146591961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).