[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H26F3N3O2 — CID 162599843

IUPAC[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(CC2CCOc3ccccc32)C1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)19-12-18-15-30(9-6-21(18)28-13-19)23(31)29-8-5-16(14-29)11-17-7-10-32-22-4-2-1-3-20(17)22/h1-4,12-13,16-17H,5-11,14-15H2
InChIKeyXAHPWYGIOPMMPY-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.86
Rot. Bonds2

About [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 162599843) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID162599843
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(CC2CCOc3ccccc32)C1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)19-12-18-15-30(9-6-21(18)28-13-19)23(31)29-8-5-16(14-29)11-17-7-10-32-22-4-2-1-3-20(17)22/h1-4,12-13,16-17H,5-11,14-15H2
InChIKeyXAHPWYGIOPMMPY-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
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1-(benzotriazol-1-yl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethane-1,2-dione
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[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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[(3aS,4R,5R,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-2-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 162599843) is [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is O=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(CC2CCOc3ccccc32)C1.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is XAHPWYGIOPMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c25-24(26,27)19-12-18-15-30(9-6-21(18)28-13-19)23(31)29-8-5-16(14-29)11-17-7-10-32-22-4-2-1-3-20(17)22/h1-4,12-13,16-17H,5-11,14-15H2.
What are the key properties of [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 445.49 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 162599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).