4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane

C64H81F6N19O — CID 158934002

IUPAC4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane
SMILESCC.CC.CC.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCCCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCNCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6.C19H21F2N7.C19H20F2N6O.3C2H6/c1-14-9-16(25-19(24-14)26-7-3-2-4-8-26)17-10-23-18-6-5-15(11-28(17)18)27-12-20(21,22)13-27;1-13-8-15(25-18(24-13)26-6-4-22-5-7-26)16-9-23-17-3-2-14(10-28(16)17)27-11-19(20,21)12-27;1-13-8-15(24-18(23-13)25-4-6-28-7-5-25)16-9-22-17-3-2-14(10-27(16)17)26-11-19(20,21)12-26;3*1-2/h5-6,9-11H,2-4,7-8,12-13H2,1H3;2-3,8-10,22H,4-7,11-12H2,1H3;2-3,8-10H,4-7,11-12H2,1H3;3*1-2H3
InChIKeyJJKRFCHIWOCYDD-UHFFFAOYSA-N
MW1246.47 g/mol
LogP10.98
Rot. Bonds9

About 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane

4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane (PubChem CID 158934002) has the molecular formula C64H81F6N19O and a molecular weight of 1246.47 g/mol. Its IUPAC name is 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane.

Molecular Properties

Compound Name4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane
PubChem CID158934002
Molecular FormulaC64H81F6N19O
Molecular Weight1246.47 g/mol
Exact Mass1245.68
IUPAC Name4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane
SMILESCC.CC.CC.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCCCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCNCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6.C19H21F2N7.C19H20F2N6O.3C2H6/c1-14-9-16(25-19(24-14)26-7-3-2-4-8-26)17-10-23-18-6-5-15(11-28(17)18)27-12-20(21,22)13-27;1-13-8-15(25-18(24-13)26-6-4-22-5-7-26)16-9-23-17-3-2-14(10-28(16)17)27-11-19(20,21)12-27;1-13-8-15(24-18(23-13)25-4-6-28-7-5-25)16-9-22-17-3-2-14(10-27(16)17)26-11-19(20,21)12-26;3*1-2/h5-6,9-11H,2-4,7-8,12-13H2,1H3;2-3,8-10,22H,4-7,11-12H2,1H3;2-3,8-10H,4-7,11-12H2,1H3;3*1-2H3
InChIKeyJJKRFCHIWOCYDD-UHFFFAOYSA-N
XLogP10.98
TPSA169.94 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001246.47
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane with MolForge

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Related Compounds

US9266891, III-28
CID 73891130
5-(2-(4-Fluorophenyl)-9-morpholino-1,2,3,4-tetrahydropyrido[3',4':4,5]imidazo[1,2-a]pyrazin-7-yl)pyrimidin-2-amine
CID 137642764
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 142432636
9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine
CID 57411943
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
CID 78333498
5-[5-(3,4-Difluorophenyl)-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137647849
9-(3-fluorophenyl)-N-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 145965254
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpurin-6-amine
CID 145966880
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-2-ylpurin-6-amine
CID 145967749
N-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane?
The IUPAC name of 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane (CID 158934002) is 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane.
What is the SMILES notation for 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane?
The canonical SMILES for 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane is CC.CC.CC.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCCCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCNCC2)n1.Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane?
The InChIKey is JJKRFCHIWOCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6.C19H21F2N7.C19H20F2N6O.3C2H6/c1-14-9-16(25-19(24-14)26-7-3-2-4-8-26)17-10-23-18-6-5-15(11-28(17)18)27-12-20(21,22)13-27;1-13-8-15(25-18(24-13)26-6-4-22-5-7-26)16-9-23-17-3-2-14(10-28(16)17)27-11-19(20,21)12-27;1-13-8-15(24-18(23-13)25-4-6-28-7-5-25)16-9-22-17-3-2-14(10-27(16)17)26-11-19(20,21)12-26;3*1-2/h5-6,9-11H,2-4,7-8,12-13H2,1H3;2-3,8-10,22H,4-7,11-12H2,1H3;2-3,8-10H,4-7,11-12H2,1H3;3*1-2H3.
What are the key properties of 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane?
4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane has a molecular weight of 1246.47 g/mol, XLogP of 10.98, 9 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,3-difluoroazetidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-6-methylpyrimidin-2-yl]morpholine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;6-(3,3-difluoroazetidin-1-yl)-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine;ethane is sourced from PubChem (CID 158934002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).