3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one

C69H85FN14O3 — CID 158236750

IUPAC3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C27H30N6O.C21H27FN4O.C21H28N4O/c1-31(2)27(22-6-4-3-5-7-22)17-26(18-27)19-32(25(34)33(26)16-20-8-9-20)23-14-29-24(30-15-23)21-10-12-28-13-11-21;1-24(2)21(17-5-3-6-18(22)11-17)13-20(14-21)15-25(10-4-9-23)19(27)26(20)12-16-7-8-16;1-23(2)21(18-7-4-3-5-8-18)14-20(15-21)16-24(12-6-11-22)19(26)25(20)13-17-9-10-17/h3-7,10-15,20H,8-9,16-19H2,1-2H3;3,5-6,11,16H,4,7-8,10,12-15H2,1-2H3;3-5,7-8,17H,6,9-10,12-16H2,1-2H3
InChIKeyGFBCOSCUDSKBTO-UHFFFAOYSA-N
MW1177.53 g/mol
LogP10.39
Rot. Bonds18

About 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one

3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 158236750) has the molecular formula C69H85FN14O3 and a molecular weight of 1177.53 g/mol. Its IUPAC name is 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID158236750
Molecular FormulaC69H85FN14O3
Molecular Weight1177.53 g/mol
Exact Mass1176.69
IUPAC Name3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C27H30N6O.C21H27FN4O.C21H28N4O/c1-31(2)27(22-6-4-3-5-7-22)17-26(18-27)19-32(25(34)33(26)16-20-8-9-20)23-14-29-24(30-15-23)21-10-12-28-13-11-21;1-24(2)21(17-5-3-6-18(22)11-17)13-20(14-21)15-25(10-4-9-23)19(27)26(20)12-16-7-8-16;1-23(2)21(18-7-4-3-5-8-18)14-20(15-21)16-24(12-6-11-22)19(26)25(20)13-17-9-10-17/h3-7,10-15,20H,8-9,16-19H2,1-2H3;3,5-6,11,16H,4,7-8,10,12-15H2,1-2H3;3-5,7-8,17H,6,9-10,12-16H2,1-2H3
InChIKeyGFBCOSCUDSKBTO-UHFFFAOYSA-N
XLogP10.39
TPSA166.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.53
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

US10738015, Example SC-43
CID 137407705
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
5-[1-(Cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 157399005
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
CID 158249954
4-[1-(Cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 160623922
1-(Cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methane
CID 158899357
5-(Cyclopropylmethyl)-7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-7-(5-cyclopropyl-2-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 159254493
8-(Dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 159531763
5-(Cyclopropylmethyl)-7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-7-(6-cyclopropyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 159935076
7-[6-(Azetidin-1-yl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile
CID 161336654
1-(Cyclobutylmethyl)-8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 161863499
7-[2-(Azetidin-1-yl)-4-methylpyrimidin-5-yl]-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile;5-[2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-4-methylpyridine-2-carbonitrile
CID 161889514

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one (CID 158236750) is 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(CCC#N)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is GFBCOSCUDSKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.C21H27FN4O.C21H28N4O/c1-31(2)27(22-6-4-3-5-7-22)17-26(18-27)19-32(25(34)33(26)16-20-8-9-20)23-14-29-24(30-15-23)21-10-12-28-13-11-21;1-24(2)21(17-5-3-6-18(22)11-17)13-20(14-21)15-25(10-4-9-23)19(27)26(20)12-16-7-8-16;1-23(2)21(18-7-4-3-5-8-18)14-20(15-21)16-24(12-6-11-22)19(26)25(20)13-17-9-10-17/h3-7,10-15,20H,8-9,16-19H2,1-2H3;3,5-6,11,16H,4,7-8,10,12-15H2,1-2H3;3-5,7-8,17H,6,9-10,12-16H2,1-2H3.
What are the key properties of 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?
3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1177.53 g/mol, XLogP of 10.39, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;3-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]propanenitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 158236750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).