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

C20H17FN6O2 — CID 146592045

IUPAC2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H17FN6O2/c1-11(18-16(9-14(21)10-24-18)27-6-2-5-25-27)29-17-8-13-7-12(20(23)28)3-4-15(13)26-19(17)22/h2-11H,1H3,(H2,22,26)(H2,23,28)/t11-/m0/s1
InChIKeyWXDXVGKXTLKUNF-NSHDSACASA-N
MW392.39 g/mol
LogP2.78
Rot. Bonds5

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

2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (PubChem CID 146592045) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
PubChem CID146592045
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H17FN6O2/c1-11(18-16(9-14(21)10-24-18)27-6-2-5-25-27)29-17-8-13-7-12(20(23)28)3-4-15(13)26-19(17)22/h2-11H,1H3,(H2,22,26)(H2,23,28)/t11-/m0/s1
InChIKeyWXDXVGKXTLKUNF-NSHDSACASA-N
XLogP2.78
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (CID 146592045) is 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1ncc(F)cc1-n1cccn1.
What is the InChIKey of 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The InChIKey is WXDXVGKXTLKUNF-NSHDSACASA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11(18-16(9-14(21)10-24-18)27-6-2-5-25-27)29-17-8-13-7-12(20(23)28)3-4-15(13)26-19(17)22/h2-11H,1H3,(H2,22,26)(H2,23,28)/t11-/m0/s1.
What are the key properties of 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146592045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).