4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol

C27H31F4N3O — CID 70833064

About 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol

4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol (PubChem CID 70833064) has the molecular formula C27H31F4N3O and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol.

Molecular Properties

• Compound Name: 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol
• PubChem CID: 70833064
• Molecular Formula: C27H31F4N3O
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.24
• IUPAC Name: 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol
• SMILES: C/C=C(\N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc(O)c(F)c2)C1
• InChI: InChI=1S/C27H31F4N3O/c1-2-25(34-9-7-23-20(16-34)12-21(14-32-23)27(29,30)31)26(13-18-3-4-18)8-10-33(17-26)15-19-5-6-24(35)22(28)11-19/h2,5-6,11-12,14,18,35H,3-4,7-10,13,15-17H2,1H3/b25-2-
• InChIKey: UEWXZOZERUCZOK-PNVZUVLOSA-N
• XLogP: 5.90
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol?

The IUPAC name of 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol (CID 70833064) is 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol.

What is the SMILES notation for 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol?

The canonical SMILES for 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol is C/C=C(\N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc(O)c(F)c2)C1.

What is the InChIKey of 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol?

The InChIKey is UEWXZOZERUCZOK-PNVZUVLOSA-N. The full InChI is InChI=1S/C27H31F4N3O/c1-2-25(34-9-7-23-20(16-34)12-21(14-32-23)27(29,30)31)26(13-18-3-4-18)8-10-33(17-26)15-19-5-6-24(35)22(28)11-19/h2,5-6,11-12,14,18,35H,3-4,7-10,13,15-17H2,1H3/b25-2-.

What are the key properties of 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol?

4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol has a molecular weight of 489.56 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(cyclopropylmethyl)-3-[(Z)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-1-enyl]pyrrolidin-1-yl]methyl]-2-fluorophenol is sourced from PubChem (CID 70833064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).