3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C46H56F3N9O2 — CID 146418064

IUPAC3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C3CC3)nc1)C(=O)N2.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27F3N4O.C23H29N5O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)19-14-24-20(25-15-19)17-8-9-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31);3-7,14-15,17H,8-13,16H2,1-2H3,(H,26,29)
InChIKeyLMNHMUFRVZTPBS-UHFFFAOYSA-N
MW824.01 g/mol
LogP8.36
Rot. Bonds7

About 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 146418064) has the molecular formula C46H56F3N9O2 and a molecular weight of 824.01 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID146418064
Molecular FormulaC46H56F3N9O2
Molecular Weight824.01 g/mol
Exact Mass823.45
IUPAC Name3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C3CC3)nc1)C(=O)N2.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27F3N4O.C23H29N5O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)19-14-24-20(25-15-19)17-8-9-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31);3-7,14-15,17H,8-13,16H2,1-2H3,(H,26,29)
InChIKeyLMNHMUFRVZTPBS-UHFFFAOYSA-N
XLogP8.36
TPSA109.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.01
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 146418064) is 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C3CC3)nc1)C(=O)N2.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LMNHMUFRVZTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O.C23H29N5O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)19-14-24-20(25-15-19)17-8-9-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31);3-7,14-15,17H,8-13,16H2,1-2H3,(H,26,29).
What are the key properties of 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 824.01 g/mol, XLogP of 8.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).