propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one

C24H28F3N7O — CID 145372290

IUPACpropane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one
SMILESCCC.C[C@H](Nc1nccc(N2CC3(CC3)NC2=O)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H20F3N7O.C3H8/c1-13(16-10-30(12-26-16)15-4-2-14(3-5-15)21(22,23)24)27-18-25-9-6-17(28-18)31-11-20(7-8-20)29-19(31)32;1-3-2/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,29,32)(H,25,27,28);3H2,1-2H3/t13-;/m0./s1
InChIKeyWYGSGFGNKZFALW-ZOWNYOTGSA-N
MW487.53 g/mol
LogP5.33
Rot. Bonds5

About propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one

propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one (PubChem CID 145372290) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Namepropane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one
PubChem CID145372290
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Namepropane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one
SMILESCCC.C[C@H](Nc1nccc(N2CC3(CC3)NC2=O)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H20F3N7O.C3H8/c1-13(16-10-30(12-26-16)15-4-2-14(3-5-15)21(22,23)24)27-18-25-9-6-17(28-18)31-11-20(7-8-20)29-19(31)32;1-3-2/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,29,32)(H,25,27,28);3H2,1-2H3/t13-;/m0./s1
InChIKeyWYGSGFGNKZFALW-ZOWNYOTGSA-N
XLogP5.33
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one with MolForge

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Related Compounds

SB-242235
CID 9863367
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529
1-[4-[8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596789
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
N-((6S,9R)-6-(2,3-difluorophenyl)-3-isopropyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11606400
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
N-(2-(dimethylamino)ethyl)-2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 24780352
N-((R)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)pyrrolidin-3-yl)acetamide
CID 44578693
N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 54580803

Frequently Asked Questions

What is the IUPAC name of propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one?
The IUPAC name of propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one (CID 145372290) is propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one.
What is the SMILES notation for propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one?
The canonical SMILES for propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one is CCC.C[C@H](Nc1nccc(N2CC3(CC3)NC2=O)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one?
The InChIKey is WYGSGFGNKZFALW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C21H20F3N7O.C3H8/c1-13(16-10-30(12-26-16)15-4-2-14(3-5-15)21(22,23)24)27-18-25-9-6-17(28-18)31-11-20(7-8-20)29-19(31)32;1-3-2/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,29,32)(H,25,27,28);3H2,1-2H3/t13-;/m0./s1.
What are the key properties of propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one?
propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one has a molecular weight of 487.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane;6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one is sourced from PubChem (CID 145372290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).