3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C16H12F3N5O — CID 138050424

IUPAC3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCc2ncccc21
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-5-7-21-14-9-11(22-24(13)14)15(25)23-8-2-3-10-12(23)4-1-6-20-10/h1,4-7,9H,2-3,8H2
InChIKeyVORVQDOAXCJYRZ-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.74
Rot. Bonds1

About 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 138050424) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID138050424
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCc2ncccc21
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-5-7-21-14-9-11(22-24(13)14)15(25)23-8-2-3-10-12(23)4-1-6-20-10/h1,4-7,9H,2-3,8H2
InChIKeyVORVQDOAXCJYRZ-UHFFFAOYSA-N
XLogP2.74
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166260321
7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 19620200
3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24678563
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
CID 167851932
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166262697
2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 19615898
7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 84721401
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4545927

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 138050424) is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCc2ncccc21.
What is the InChIKey of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is VORVQDOAXCJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)13-5-7-21-14-9-11(22-24(13)14)15(25)23-8-2-3-10-12(23)4-1-6-20-10/h1,4-7,9H,2-3,8H2.
What are the key properties of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 347.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 138050424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).