2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile

C74H101N7O5S — CID 158003211

About 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile

2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile (PubChem CID 158003211) has the molecular formula C74H101N7O5S and a molecular weight of 1200.73 g/mol. Its IUPAC name is 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile.

Molecular Properties

• Compound Name: 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile
• PubChem CID: 158003211
• Molecular Formula: C74H101N7O5S
• Molecular Weight: 1200.73 g/mol
• Exact Mass: 1199.76
• IUPAC Name: 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile
• SMILES: CC(C#N)C1(c2ccccn2)CCOC2(CCCC2)C1.CC(CN)C1(c2ccccn2)CCOC2(CCCC2)C1.COc1ccsc1CCCC(C)C1(c2ccccn2)CCOC2(CCCC2)C1.N#CCC1(c2ccccn2)CCOC2(CCCC2)C1
• InChI: InChI=1S/C24H33NO2S.C17H26N2O.C17H22N2O.C16H20N2O/c1-19(8-7-9-21-20(26-2)11-17-28-21)24(22-10-3-6-15-25-22)14-16-27-23(18-24)12-4-5-13-23;2*1-14(12-18)17(15-6-2-5-10-19-15)9-11-20-16(13-17)7-3-4-8-16;17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16/h3,6,10-11,15,17,19H,4-5,7-9,12-14,16,18H2,1-2H3;2,5-6,10,14H,3-4,7-9,11-13,18H2,1H3;2,5-6,10,14H,3-4,7-9,11,13H2,1H3;1,4-5,11H,2-3,6-9,12-13H2
• InChIKey: FDZCGSCAWGAVIV-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 171.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.73
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile?

The IUPAC name of 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile (CID 158003211) is 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile.

What is the SMILES notation for 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile?

The canonical SMILES for 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile is CC(C#N)C1(c2ccccn2)CCOC2(CCCC2)C1.CC(CN)C1(c2ccccn2)CCOC2(CCCC2)C1.COc1ccsc1CCCC(C)C1(c2ccccn2)CCOC2(CCCC2)C1.N#CCC1(c2ccccn2)CCOC2(CCCC2)C1.

What is the InChIKey of 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile?

The InChIKey is FDZCGSCAWGAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2S.C17H26N2O.C17H22N2O.C16H20N2O/c1-19(8-7-9-21-20(26-2)11-17-28-21)24(22-10-3-6-15-25-22)14-16-27-23(18-24)12-4-5-13-23;2*1-14(12-18)17(15-6-2-5-10-19-15)9-11-20-16(13-17)7-3-4-8-16;17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16/h3,6,10-11,15,17,19H,4-5,7-9,12-14,16,18H2,1-2H3;2,5-6,10,14H,3-4,7-9,11-13,18H2,1H3;2,5-6,10,14H,3-4,7-9,11,13H2,1H3;1,4-5,11H,2-3,6-9,12-13H2.

What are the key properties of 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile?

2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile has a molecular weight of 1200.73 g/mol, XLogP of 16.17, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[5-(3-methoxythiophen-2-yl)pentan-2-yl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-1-amine;2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propanenitrile is sourced from PubChem (CID 158003211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).