7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

C20H20F3N5O2 — CID 110225052

IUPAC7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1c(C(=O)N2CCCC(c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cnn1C
InChIInChI=1S/C20H20F3N5O2/c1-11-14(9-24-27(11)2)19(30)28-7-3-4-12(10-28)15-8-16-13(18(29)26-15)5-6-17(25-16)20(21,22)23/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,29)
InChIKeyCRQSUAKFMGHNFK-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.00
Rot. Bonds2

About 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (PubChem CID 110225052) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
PubChem CID110225052
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1c(C(=O)N2CCCC(c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cnn1C
InChIInChI=1S/C20H20F3N5O2/c1-11-14(9-24-27(11)2)19(30)28-7-3-4-12(10-28)15-8-16-13(18(29)26-15)5-6-17(25-16)20(21,22)23/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,29)
InChIKeyCRQSUAKFMGHNFK-UHFFFAOYSA-N
XLogP3.00
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92554056
1,4,6-trimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 92602607
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92560376
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
[4-(methoxymethyl)phenyl]-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92611482
2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 110224735
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92588234
2-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735500
(3-methoxyphenyl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92599410
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92588311

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (CID 110225052) is 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is Cc1c(C(=O)N2CCCC(c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cnn1C.
What is the InChIKey of 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The InChIKey is CRQSUAKFMGHNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-11-14(9-24-27(11)2)19(30)28-7-3-4-12(10-28)15-8-16-13(18(29)26-15)5-6-17(25-16)20(21,22)23/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,26,29).
What are the key properties of 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one has a molecular weight of 419.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 110225052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).