8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide

C51H58F3N11O3 — CID 138522666

IUPAC8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C27H30N6O2.C24H28F3N5O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33)
InChIKeyJZLZXLJPERVUCC-UHFFFAOYSA-N
MW930.09 g/mol
LogP8.12
Rot. Bonds10

About 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide

8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide (PubChem CID 138522666) has the molecular formula C51H58F3N11O3 and a molecular weight of 930.09 g/mol. Its IUPAC name is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide
PubChem CID138522666
Molecular FormulaC51H58F3N11O3
Molecular Weight930.09 g/mol
Exact Mass929.47
IUPAC Name8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C27H30N6O2.C24H28F3N5O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33)
InChIKeyJZLZXLJPERVUCC-UHFFFAOYSA-N
XLogP8.12
TPSA165.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.09
LogP ≤ 58.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide?
The IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide (CID 138522666) is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide?
The canonical SMILES for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide?
The InChIKey is JZLZXLJPERVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C24H28F3N5O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33).
What are the key properties of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide?
8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide has a molecular weight of 930.09 g/mol, XLogP of 8.12, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 138522666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).