4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one

C20H21ClFN5O2 — CID 90682480

IUPAC4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl
InChIInChI=1S/C20H21ClFN5O2/c1-2-27-19(21)15(11-23-27)20(29)26-7-5-13(6-8-26)24-17-10-18(28)25-16-4-3-12(22)9-14(16)17/h3-4,9-11,13H,2,5-8H2,1H3,(H2,24,25,28)
InChIKeyREKKAMUWJKEFGI-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.25
Rot. Bonds4

About 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one

4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (PubChem CID 90682480) has the molecular formula C20H21ClFN5O2 and a molecular weight of 417.87 g/mol. Its IUPAC name is 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
PubChem CID90682480
Molecular FormulaC20H21ClFN5O2
Molecular Weight417.87 g/mol
Exact Mass417.14
IUPAC Name4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl
InChIInChI=1S/C20H21ClFN5O2/c1-2-27-19(21)15(11-23-27)20(29)26-7-5-13(6-8-26)24-17-10-18(28)25-16-4-3-12(22)9-14(16)17/h3-4,9-11,13H,2,5-8H2,1H3,(H2,24,25,28)
InChIKeyREKKAMUWJKEFGI-UHFFFAOYSA-N
XLogP3.25
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90644461
2(1H)-Quinolinone, 4-[[1-[(5-chloro-1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl]amino]-6-fluoro-
CID 90644462
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
CID 90644463
4-[[1-(5-Chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1-methylquinolin-2-one
CID 90644464
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7-fluoro-1H-quinolin-2-one
CID 90682303
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-8-fluoro-1H-quinolin-2-one
CID 90682304
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7,8-difluoro-1H-quinolin-2-one
CID 90682305
4-[[(2S,4R)-1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-2-methyl-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682472
4-[[(1R,5S)-8-(5-chloro-1-methyl-pyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682474
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (CID 90682480) is 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one is CCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl.
What is the InChIKey of 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The InChIKey is REKKAMUWJKEFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O2/c1-2-27-19(21)15(11-23-27)20(29)26-7-5-13(6-8-26)24-17-10-18(28)25-16-4-3-12(22)9-14(16)17/h3-4,9-11,13H,2,5-8H2,1H3,(H2,24,25,28).
What are the key properties of 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one has a molecular weight of 417.87 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-1-ethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 90682480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).