3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one

C24H28F4N4O2 — CID 172531787

IUPAC3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(OCC(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H28F4N4O2/c1-15-8-19(34-13-20(27)28)12-29-21(15)32-14-23(30-22(32)33)4-6-24(7-5-23,31(2)3)16-9-17(25)11-18(26)10-16/h8-12,20H,4-7,13-14H2,1-3H3,(H,30,33)
InChIKeyFQTBWTZGWZYUSN-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.61
Rot. Bonds6

About 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one

3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 172531787) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID172531787
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Name3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(OCC(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H28F4N4O2/c1-15-8-19(34-13-20(27)28)12-29-21(15)32-14-23(30-22(32)33)4-6-24(7-5-23,31(2)3)16-9-17(25)11-18(26)10-16/h8-12,20H,4-7,13-14H2,1-3H3,(H,30,33)
InChIKeyFQTBWTZGWZYUSN-UHFFFAOYSA-N
XLogP4.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one (CID 172531787) is 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(OCC(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FQTBWTZGWZYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c1-15-8-19(34-13-20(27)28)12-29-21(15)32-14-23(30-22(32)33)4-6-24(7-5-23,31(2)3)16-9-17(25)11-18(26)10-16/h8-12,20H,4-7,13-14H2,1-3H3,(H,30,33).
What are the key properties of 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 480.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-difluoroethoxy)-3-methyl-2-pyridinyl]-8-(3,5-difluorophenyl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172531787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).