7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

C20H19F3N4O3 — CID 92554056

IUPAC7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1cc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)on1
InChIInChI=1S/C20H19F3N4O3/c1-11-7-13(30-26-11)8-18(28)27-6-2-3-12(10-27)15-9-16-14(19(29)25-15)4-5-17(24-16)20(21,22)23/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,25,29)/t12-/m0/s1
InChIKeyCSXQGCLVHPTETN-LBPRGKRZSA-N
MW420.39 g/mol
LogP3.19
Rot. Bonds3

About 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (PubChem CID 92554056) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
PubChem CID92554056
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1cc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)on1
InChIInChI=1S/C20H19F3N4O3/c1-11-7-13(30-26-11)8-18(28)27-6-2-3-12(10-27)15-9-16-14(19(29)25-15)4-5-17(24-16)20(21,22)23/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,25,29)/t12-/m0/s1
InChIKeyCSXQGCLVHPTETN-LBPRGKRZSA-N
XLogP3.19
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 110225052
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
CID 110236426
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 92597415
(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
(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
2-(3-methoxyphenyl)-1-[3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110236382
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92560376
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
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 92571014
2-[2-oxo-2-[3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethyl]-3H-isoindol-1-one
CID 110236422
2-methyl-7-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92601024

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 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) is 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is Cc1cc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)on1.
What is the InChIKey of 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The InChIKey is CSXQGCLVHPTETN-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-11-7-13(30-26-11)8-18(28)27-6-2-3-12(10-27)15-9-16-14(19(29)25-15)4-5-17(24-16)20(21,22)23/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,25,29)/t12-/m0/s1.
What are the key properties of 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one has a molecular weight of 420.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92554056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).