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

C19H14F3N5O — CID 146591927

IUPAC5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESCC(Oc1cc2c(F)ccc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C19H14F3N5O/c1-10(17-15(7-11(20)9-24-17)27-6-2-5-25-27)28-16-8-12-13(21)3-4-14(22)18(12)26-19(16)23/h2-10H,1H3,(H2,23,26)
InChIKeyCUJWQJCJYJBLOI-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.95
Rot. Bonds4

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

5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (PubChem CID 146591927) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.

Molecular Properties

Compound Name5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
PubChem CID146591927
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESCC(Oc1cc2c(F)ccc(F)c2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C19H14F3N5O/c1-10(17-15(7-11(20)9-24-17)27-6-2-5-25-27)28-16-8-12-13(21)3-4-14(22)18(12)26-19(16)23/h2-10H,1H3,(H2,23,26)
InChIKeyCUJWQJCJYJBLOI-UHFFFAOYSA-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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Related Compounds

2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146591926
6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146592038
methyl 2-(1,3-dioxoisoindol-2-yl)-8-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxylate
CID 146591835
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146592104
2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
CID 146591773
5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
CID 146592081
methyl 2-(1,3-dioxoisoindol-2-yl)-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxylate
CID 146638250
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoate
CID 166016201
2-amino-1-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]ethanone
CID 158755647
[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid
CID 146592018
5-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 146592166

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The IUPAC name of 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (CID 146591927) is 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.
What is the SMILES notation for 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The canonical SMILES for 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is CC(Oc1cc2c(F)ccc(F)c2nc1N)c1ncc(F)cc1-n1cccn1.
What is the InChIKey of 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The InChIKey is CUJWQJCJYJBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-10(17-15(7-11(20)9-24-17)27-6-2-5-25-27)28-16-8-12-13(21)3-4-14(22)18(12)26-19(16)23/h2-10H,1H3,(H2,23,26).
What are the key properties of 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
5,8-difluoro-3-[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 5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is sourced from PubChem (CID 146591927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).