5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide

C21H17F2N5O2 — CID 146592081

IUPAC5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1cc(C(N)=O)c(F)cc1-n1cccn1
InChIInChI=1S/C21H17F2N5O2/c1-11(30-19-8-12-7-13(22)3-4-17(12)27-20(19)24)14-9-15(21(25)29)16(23)10-18(14)28-6-2-5-26-28/h2-11H,1H3,(H2,24,27)(H2,25,29)
InChIKeyWZIRVCYIANNWEW-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.52
Rot. Bonds5

About 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide

5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide (PubChem CID 146592081) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
PubChem CID146592081
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1cc(C(N)=O)c(F)cc1-n1cccn1
InChIInChI=1S/C21H17F2N5O2/c1-11(30-19-8-12-7-13(22)3-4-17(12)27-20(19)24)14-9-15(21(25)29)16(23)10-18(14)28-6-2-5-26-28/h2-11H,1H3,(H2,24,27)(H2,25,29)
InChIKeyWZIRVCYIANNWEW-UHFFFAOYSA-N
XLogP3.52
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-N-(3-hydroxycyclobutyl)-4-pyrazol-1-ylbenzamide
CID 146591915
5-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 146592166
5-[1-[7-chloro-2-(1,3-dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
CID 146592122
2-[3-[1-(5-amino-2-pyrazol-1-ylphenyl)ethoxy]-6-fluoroquinolin-2-yl]isoindole-1,3-dione
CID 146592146
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146592104
methyl 6-[(1S)-1-[2-(1,3-dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-3-fluoro-5-pyrazol-1-ylpyridine-2-carboxylate
CID 146591804
3-[(2-amino-6-fluoroquinolin-3-yl)oxymethyl]-4-pyrazol-1-ylbenzoic acid
CID 146639477
2-[6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-ylindazol-1-yl]ethanol
CID 146591773
methyl 3-[(2-amino-6-fluoroquinolin-3-yl)oxymethyl]-4-pyrazol-1-ylbenzoate
CID 146639117

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide?
The IUPAC name of 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide (CID 146592081) is 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide is CC(Oc1cc2cc(F)ccc2nc1N)c1cc(C(N)=O)c(F)cc1-n1cccn1.
What is the InChIKey of 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide?
The InChIKey is WZIRVCYIANNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-11(30-19-8-12-7-13(22)3-4-17(12)27-20(19)24)14-9-15(21(25)29)16(23)10-18(14)28-6-2-5-26-28/h2-11H,1H3,(H2,24,27)(H2,25,29).
What are the key properties of 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide?
5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide has a molecular weight of 409.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 146592081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).