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

C20H19N5O2 — CID 159217465

IUPAC6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESCc1ccc2nc(N)c(O[C@@H](C)c3[nH]c(=O)ccc3-n3cccn3)cc2c1
InChIInChI=1S/C20H19N5O2/c1-12-4-5-15-14(10-12)11-17(20(21)23-15)27-13(2)19-16(6-7-18(26)24-19)25-9-3-8-22-25/h3-11,13H,1-2H3,(H2,21,23)(H,24,26)/t13-/m0/s1
InChIKeyKRGHXLNAROYRBZ-ZDUSSCGKSA-N
MW361.41 g/mol
LogP3.14
Rot. Bonds4

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

6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (PubChem CID 159217465) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
PubChem CID159217465
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESCc1ccc2nc(N)c(O[C@@H](C)c3[nH]c(=O)ccc3-n3cccn3)cc2c1
InChIInChI=1S/C20H19N5O2/c1-12-4-5-15-14(10-12)11-17(20(21)23-15)27-13(2)19-16(6-7-18(26)24-19)25-9-3-8-22-25/h3-11,13H,1-2H3,(H2,21,23)(H,24,26)/t13-/m0/s1
InChIKeyKRGHXLNAROYRBZ-ZDUSSCGKSA-N
XLogP3.14
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146592038
6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146591926
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146592104
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoate
CID 166016201
5-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 146592166
2-amino-1-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]ethanone
CID 158755647
5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
CID 146592081
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-N-(3-hydroxycyclobutyl)-4-pyrazol-1-ylbenzamide
CID 146591915
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
2-[3-[1-(5-amino-2-pyrazol-1-ylphenyl)ethoxy]-6-fluoroquinolin-2-yl]isoindole-1,3-dione
CID 146592146
5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146591927

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (CID 159217465) is 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is Cc1ccc2nc(N)c(O[C@@H](C)c3[nH]c(=O)ccc3-n3cccn3)cc2c1.
What is the InChIKey of 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The InChIKey is KRGHXLNAROYRBZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-4-5-15-14(10-12)11-17(20(21)23-15)27-13(2)19-16(6-7-18(26)24-19)25-9-3-8-22-25/h3-11,13H,1-2H3,(H2,21,23)(H,24,26)/t13-/m0/s1.
What are the key properties of 6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one has a molecular weight of 361.41 g/mol, XLogP of 3.14, 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-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 159217465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).