3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one

C27H37FN6O3 — CID 155922093

About 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one

3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155922093) has the molecular formula C27H37FN6O3 and a molecular weight of 512.63 g/mol. Its IUPAC name is 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
• PubChem CID: 155922093
• Molecular Formula: C27H37FN6O3
• Molecular Weight: 512.63 g/mol
• Exact Mass: 512.29
• IUPAC Name: 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
• SMILES: CCc1nc(N2CC3(CCN(CCO)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1
• InChI: InChI=1S/C27H37FN6O3/c1-3-24-23(20-15-29-30-16-20)4-5-25(31-24)33-18-27(6-8-32(9-7-27)10-11-35)34(26(33)36)17-19-12-21(28)14-22(13-19)37-2/h4-5,12-14,20,29-30,35H,3,6-11,15-18H2,1-2H3
• InChIKey: USANVQCTEPTZPN-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 93.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The IUPAC name of 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 155922093) is 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one is CCc1nc(N2CC3(CCN(CCO)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1.

What is the InChIKey of 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The InChIKey is USANVQCTEPTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN6O3/c1-3-24-23(20-15-29-30-16-20)4-5-25(31-24)33-18-27(6-8-32(9-7-27)10-11-35)34(26(33)36)17-19-12-21(28)14-22(13-19)37-2/h4-5,12-14,20,29-30,35H,3,6-11,15-18H2,1-2H3.

What are the key properties of 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one?

3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 512.63 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155922093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).