2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

C20H16F2N6O2 — CID 146591864

IUPAC2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H16F2N6O2/c1-10(17-15(8-13(21)9-25-17)28-4-2-3-26-28)30-16-7-11-5-12(20(24)29)6-14(22)18(11)27-19(16)23/h2-10H,1H3,(H2,23,27)(H2,24,29)/t10-/m0/s1
InChIKeyICLFNQZXPXCTBO-JTQLQIEISA-N
MW410.38 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (PubChem CID 146591864) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
PubChem CID146591864
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H16F2N6O2/c1-10(17-15(8-13(21)9-25-17)28-4-2-3-26-28)30-16-7-11-5-12(20(24)29)6-14(22)18(11)27-19(16)23/h2-10H,1H3,(H2,23,27)(H2,24,29)/t10-/m0/s1
InChIKeyICLFNQZXPXCTBO-JTQLQIEISA-N
XLogP2.91
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The IUPAC name of 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (CID 146591864) is 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is C[C@H](Oc1cc2cc(C(N)=O)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1.
What is the InChIKey of 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The InChIKey is ICLFNQZXPXCTBO-JTQLQIEISA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-10(17-15(8-13(21)9-25-17)28-4-2-3-26-28)30-16-7-11-5-12(20(24)29)6-14(22)18(11)27-19(16)23/h2-10H,1H3,(H2,23,27)(H2,24,29)/t10-/m0/s1.
What are the key properties of 2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
2-amino-8-fluoro-3-[(1S)-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-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146591864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).