2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C84H101F6N7O7 — CID 159434600

About 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 159434600) has the molecular formula C84H101F6N7O7 and a molecular weight of 1434.76 g/mol. Its IUPAC name is 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
• PubChem CID: 159434600
• Molecular Formula: C84H101F6N7O7
• Molecular Weight: 1434.76 g/mol
• Exact Mass: 1433.77
• IUPAC Name: 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
• SMILES: FC(F)(F)c1ccc2c(c1)CN(CCC1(c3ccccn3)CCOC3(CCCC3)C1)CC2.N#CCC1(c2ccccn2)CCOC2(CCCC2)C1.O=C(CC1(c2ccccn2)CCOC2(CCCC2)C1)N1CCc2ccc(C(F)(F)F)cc2C1.O=C(O)CC1(c2ccccn2)CCOC2(CCCC2)C1
• InChI: InChI=1S/C26H29F3N2O2.C26H31F3N2O.C16H20N2O.C16H21NO3/c27-26(28,29)21-7-6-19-8-13-31(17-20(19)15-21)23(32)16-24(22-5-1-4-12-30-22)11-14-33-25(18-24)9-2-3-10-25;27-26(28,29)22-7-6-20-8-14-31(18-21(20)17-22)15-11-24(23-5-1-4-13-30-23)12-16-32-25(19-24)9-2-3-10-25;17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16;18-14(19)11-15(13-5-1-4-9-17-13)8-10-20-16(12-15)6-2-3-7-16/h1,4-7,12,15H,2-3,8-11,13-14,16-18H2;1,4-7,13,17H,2-3,8-12,14-16,18-19H2;1,4-5,11H,2-3,6-9,12-13H2;1,4-5,9H,2-3,6-8,10-12H2,(H,18,19)
• InChIKey: LRKNRSRDGKYOCH-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 173.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.76
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?

The IUPAC name of 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 159434600) is 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

What is the SMILES notation for 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?

The canonical SMILES for 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is FC(F)(F)c1ccc2c(c1)CN(CCC1(c3ccccn3)CCOC3(CCCC3)C1)CC2.N#CCC1(c2ccccn2)CCOC2(CCCC2)C1.O=C(CC1(c2ccccn2)CCOC2(CCCC2)C1)N1CCc2ccc(C(F)(F)F)cc2C1.O=C(O)CC1(c2ccccn2)CCOC2(CCCC2)C1.

What is the InChIKey of 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?

The InChIKey is LRKNRSRDGKYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O2.C26H31F3N2O.C16H20N2O.C16H21NO3/c27-26(28,29)21-7-6-19-8-13-31(17-20(19)15-21)23(32)16-24(22-5-1-4-12-30-22)11-14-33-25(18-24)9-2-3-10-25;27-26(28,29)22-7-6-20-8-14-31(18-21(20)17-22)15-11-24(23-5-1-4-13-30-23)12-16-32-25(19-24)9-2-3-10-25;17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16;18-14(19)11-15(13-5-1-4-9-17-13)8-10-20-16(12-15)6-2-3-7-16/h1,4-7,12,15H,2-3,8-11,13-14,16-18H2;1,4-7,13,17H,2-3,8-12,14-16,18-19H2;1,4-5,11H,2-3,6-9,12-13H2;1,4-5,9H,2-3,6-8,10-12H2,(H,18,19).

What are the key properties of 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?

2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 1434.76 g/mol, XLogP of 17.62, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetic acid;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 159434600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).