[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C23H32F3N3O2 — CID 24985529

IUPAC[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1
InChIInChI=1S/C23H32F3N3O2/c1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26/h10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3/t18?,19?,22-/m0/s1
InChIKeyCIBBSKUIDYPJMV-AJTFCVKESA-N
MW439.52 g/mol
LogP3.64
Rot. Bonds3

About [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 24985529) has the molecular formula C23H32F3N3O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID24985529
Molecular FormulaC23H32F3N3O2
Molecular Weight439.52 g/mol
Exact Mass439.24
IUPAC Name[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1
InChIInChI=1S/C23H32F3N3O2/c1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26/h10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3/t18?,19?,22-/m0/s1
InChIKeyCIBBSKUIDYPJMV-AJTFCVKESA-N
XLogP3.64
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 24985529) is [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(N2CCCC(O)C2)C1.
What is the InChIKey of [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is CIBBSKUIDYPJMV-AJTFCVKESA-N. The full InChI is InChI=1S/C23H32F3N3O2/c1-15(2)22(7-5-18(11-22)28-8-3-4-19(30)14-28)21(31)29-9-6-20-16(13-29)10-17(12-27-20)23(24,25)26/h10,12,15,18-19,30H,3-9,11,13-14H2,1-2H3/t18?,19?,22-/m0/s1.
What are the key properties of [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 24985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).