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

C29H41FN6O3 — CID 155922095

IUPAC3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(CC(C)(C)O)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1
InChIInChI=1S/C29H41FN6O3/c1-5-25-24(21-15-31-32-16-21)6-7-26(33-25)35-19-29(8-10-34(11-9-29)18-28(2,3)38)36(27(35)37)17-20-12-22(30)14-23(13-20)39-4/h6-7,12-14,21,31-32,38H,5,8-11,15-19H2,1-4H3
InChIKeyDNVIAQLPANEGGH-UHFFFAOYSA-N
MW540.68 g/mol
LogP3.03
Rot. Bonds8

About 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155922095) has the molecular formula C29H41FN6O3 and a molecular weight of 540.68 g/mol. Its IUPAC name is 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID155922095
Molecular FormulaC29H41FN6O3
Molecular Weight540.68 g/mol
Exact Mass540.32
IUPAC Name3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(CC(C)(C)O)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1
InChIInChI=1S/C29H41FN6O3/c1-5-25-24(21-15-31-32-16-21)6-7-26(33-25)35-19-29(8-10-34(11-9-29)18-28(2,3)38)36(27(35)37)17-20-12-22(30)14-23(13-20)39-4/h6-7,12-14,21,31-32,38H,5,8-11,15-19H2,1-4H3
InChIKeyDNVIAQLPANEGGH-UHFFFAOYSA-N
XLogP3.03
TPSA93.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.68
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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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-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 155922095) is 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one is CCc1nc(N2CC3(CCN(CC(C)(C)O)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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is DNVIAQLPANEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FN6O3/c1-5-25-24(21-15-31-32-16-21)6-7-26(33-25)35-19-29(8-10-34(11-9-29)18-28(2,3)38)36(27(35)37)17-20-12-22(30)14-23(13-20)39-4/h6-7,12-14,21,31-32,38H,5,8-11,15-19H2,1-4H3.
What are the key properties of 3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-(2-hydroxy-2-methylpropyl)-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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 540.68 g/mol, XLogP of 3.03, 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-hydroxy-2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155922095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).