6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

C19H15F2N5O2 — CID 146591926

IUPAC6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESC[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1
InChIInChI=1S/C19H15F2N5O2/c1-10(17-14(3-4-16(27)24-17)26-6-2-5-23-26)28-15-8-11-7-12(20)9-13(21)18(11)25-19(15)22/h2-10H,1H3,(H2,22,25)(H,24,27)/t10-/m0/s1
InChIKeyMIXSZULRJYSDAC-JTQLQIEISA-N
MW383.36 g/mol
LogP3.11
Rot. Bonds4

About 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (PubChem CID 146591926) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
PubChem CID146591926
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESC[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1
InChIInChI=1S/C19H15F2N5O2/c1-10(17-14(3-4-16(27)24-17)26-6-2-5-23-26)28-15-8-11-7-12(20)9-13(21)18(11)25-19(15)22/h2-10H,1H3,(H2,22,25)(H,24,27)/t10-/m0/s1
InChIKeyMIXSZULRJYSDAC-JTQLQIEISA-N
XLogP3.11
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 146591762
CID 146591762
CID 146591808
CID 146591808
CID 89713230
CID 89713230
CID 155294521
CID 155294521
CID 76311144
CID 76311144
CID 67467673
CID 67467673
CID 146591811
CID 146591811
CID 146591864
CID 146591864
CID 146591921
CID 146591921
CID 146591989
CID 146591989
CID 146592000
CID 146592000
CID 146592045
CID 146592045

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (CID 146591926) is 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1.
What is the InChIKey of 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The InChIKey is MIXSZULRJYSDAC-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-10(17-14(3-4-16(27)24-17)26-6-2-5-23-26)28-15-8-11-7-12(20)9-13(21)18(11)25-19(15)22/h2-10H,1H3,(H2,22,25)(H,24,27)/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one has a molecular weight of 383.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 146591926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).