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

C27H35F3N6O2 — CID 155922070

IUPAC8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(CC(F)F)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1
InChIInChI=1S/C27H35F3N6O2/c1-3-23-22(19-13-31-32-14-19)4-5-25(33-23)35-17-27(6-8-34(9-7-27)16-24(29)30)36(26(35)37)15-18-10-20(28)12-21(11-18)38-2/h4-5,10-12,19,24,31-32H,3,6-9,13-17H2,1-2H3
InChIKeyIHPWDSQWFZKNDF-UHFFFAOYSA-N
MW532.61 g/mol
LogP3.53
Rot. Bonds8

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

8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155922070) has the molecular formula C27H35F3N6O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID155922070
Molecular FormulaC27H35F3N6O2
Molecular Weight532.61 g/mol
Exact Mass532.28
IUPAC Name8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCc1nc(N2CC3(CCN(CC(F)F)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1
InChIInChI=1S/C27H35F3N6O2/c1-3-23-22(19-13-31-32-14-19)4-5-25(33-23)35-17-27(6-8-34(9-7-27)16-24(29)30)36(26(35)37)15-18-10-20(28)12-21(11-18)38-2/h4-5,10-12,19,24,31-32H,3,6-9,13-17H2,1-2H3
InChIKeyIHPWDSQWFZKNDF-UHFFFAOYSA-N
XLogP3.53
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 155922070) is 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is CCc1nc(N2CC3(CCN(CC(F)F)CC3)N(Cc3cc(F)cc(OC)c3)C2=O)ccc1C1CNNC1.
What is the InChIKey of 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is IHPWDSQWFZKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N6O2/c1-3-23-22(19-13-31-32-14-19)4-5-25(33-23)35-17-27(6-8-34(9-7-27)16-24(29)30)36(26(35)37)15-18-10-20(28)12-21(11-18)38-2/h4-5,10-12,19,24,31-32H,3,6-9,13-17H2,1-2H3.
What are the key properties of 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 532.61 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethyl)-3-(6-ethyl-5-pyrazolidin-4-yl-2-pyridinyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155922070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).