1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile

C20H18FN5O — CID 45180937

IUPAC1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
SMILESCn1cc(-c2cc(C(=O)N3CCCC(C#N)C3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C20H18FN5O/c1-25-12-14(10-23-25)19-8-17(16-7-15(21)4-5-18(16)24-19)20(27)26-6-2-3-13(9-22)11-26/h4-5,7-8,10,12-13H,2-3,6,11H2,1H3
InChIKeyGAMZUVZJUKNBFB-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.15
Rot. Bonds2

About 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile

1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile (PubChem CID 45180937) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
PubChem CID45180937
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
SMILESCn1cc(-c2cc(C(=O)N3CCCC(C#N)C3)c3cc(F)ccc3n2)cn1
InChIInChI=1S/C20H18FN5O/c1-25-12-14(10-23-25)19-8-17(16-7-15(21)4-5-18(16)24-19)20(27)26-6-2-3-13(9-22)11-26/h4-5,7-8,10,12-13H,2-3,6,11H2,1H3
InChIKeyGAMZUVZJUKNBFB-UHFFFAOYSA-N
XLogP3.15
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46993429
(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 30897390
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile (CID 45180937) is 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile is Cn1cc(-c2cc(C(=O)N3CCCC(C#N)C3)c3cc(F)ccc3n2)cn1.
What is the InChIKey of 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile?
The InChIKey is GAMZUVZJUKNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-25-12-14(10-23-25)19-8-17(16-7-15(21)4-5-18(16)24-19)20(27)26-6-2-3-13(9-22)11-26/h4-5,7-8,10,12-13H,2-3,6,11H2,1H3.
What are the key properties of 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile?
1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile has a molecular weight of 363.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile is sourced from PubChem (CID 45180937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).