6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine

C19H14F3N5O — CID 146592000

IUPAC6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESC[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C19H14F3N5O/c1-10(17-15(8-13(21)9-24-17)27-4-2-3-25-27)28-16-6-11-5-12(20)7-14(22)18(11)26-19(16)23/h2-10H,1H3,(H2,23,26)/t10-/m0/s1
InChIKeyGBWNXIGUAMJSBM-JTQLQIEISA-N
MW385.35 g/mol
LogP3.95
Rot. Bonds4

About 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine

6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (PubChem CID 146592000) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.

Molecular Properties

Compound Name6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
PubChem CID146592000
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESC[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C19H14F3N5O/c1-10(17-15(8-13(21)9-24-17)27-4-2-3-25-27)28-16-6-11-5-12(20)7-14(22)18(11)26-19(16)23/h2-10H,1H3,(H2,23,26)/t10-/m0/s1
InChIKeyGBWNXIGUAMJSBM-JTQLQIEISA-N
XLogP3.95
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The IUPAC name of 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (CID 146592000) is 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.
What is the SMILES notation for 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The canonical SMILES for 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1ncc(F)cc1-n1cccn1.
What is the InChIKey of 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The InChIKey is GBWNXIGUAMJSBM-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-10(17-15(8-13(21)9-24-17)27-4-2-3-25-27)28-16-6-11-5-12(20)7-14(22)18(11)26-19(16)23/h2-10H,1H3,(H2,23,26)/t10-/m0/s1.
What are the key properties of 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine has a molecular weight of 385.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is sourced from PubChem (CID 146592000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).