1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

C77H77N21O — CID 123503954

IUPAC1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
SMILESCC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(CC(=O)c5ccccc5)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(Cc5ccccc5)c4)cnc23)c1
InChIInChI=1S/C32H29N7O.C24H23N7.C21H25N7/c1-37(2)26-14-8-13-25(19-26)35-31-32-34-20-28(39(32)16-15-33-31)27-21-38(3)36-30(27)24-12-7-9-22(17-24)18-29(40)23-10-5-4-6-11-23;1-29(2)21-10-6-9-20(13-21)28-23-24-26-15-22(31(24)12-11-25-23)19-14-27-30(17-19)16-18-7-4-3-5-8-18;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4/h4-17,19-21H,18H2,1-3H3,(H,33,35);3-15,17H,16H2,1-2H3,(H,25,28);5-12,14-15H,13H2,1-4H3,(H,22,25)
InChIKeyCASLPULBTALDJZ-UHFFFAOYSA-N
MW1312.61 g/mol
LogP14.54
Rot. Bonds20

About 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (PubChem CID 123503954) has the molecular formula C77H77N21O and a molecular weight of 1312.61 g/mol. Its IUPAC name is 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
PubChem CID123503954
Molecular FormulaC77H77N21O
Molecular Weight1312.61 g/mol
Exact Mass1311.66
IUPAC Name1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
SMILESCC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(CC(=O)c5ccccc5)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(Cc5ccccc5)c4)cnc23)c1
InChIInChI=1S/C32H29N7O.C24H23N7.C21H25N7/c1-37(2)26-14-8-13-25(19-26)35-31-32-34-20-28(39(32)16-15-33-31)27-21-38(3)36-30(27)24-12-7-9-22(17-24)18-29(40)23-10-5-4-6-11-23;1-29(2)21-10-6-9-20(13-21)28-23-24-26-15-22(31(24)12-11-25-23)19-14-27-30(17-19)16-18-7-4-3-5-8-18;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4/h4-17,19-21H,18H2,1-3H3,(H,33,35);3-15,17H,16H2,1-2H3,(H,25,28);5-12,14-15H,13H2,1-4H3,(H,22,25)
InChIKeyCASLPULBTALDJZ-UHFFFAOYSA-N
XLogP14.54
TPSA206.91 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.61
LogP ≤ 514.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine with MolForge

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Related Compounds

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CID 118537213
N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 136214281
3-[[4-Amino-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008927
N-(2,6-difluorophenyl)-3-[3-(2-{[3-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452676
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538623
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3-(pyrimidin-5-yl)benzamide
CID 118538658
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 118538706
N-(6-(4-(4-Fluorophenyl)-1-(pyridin-3-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538928
US9718828, Example, 135
CID 71222621
N-(5-ethenyl-2-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537306
2-fluoro-N-(2-phenylpropan-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
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2-fluoro-N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537324

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The IUPAC name of 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (CID 123503954) is 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is CC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(CC(=O)c5ccccc5)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cnn(Cc5ccccc5)c4)cnc23)c1.
What is the InChIKey of 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The InChIKey is CASLPULBTALDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O.C24H23N7.C21H25N7/c1-37(2)26-14-8-13-25(19-26)35-31-32-34-20-28(39(32)16-15-33-31)27-21-38(3)36-30(27)24-12-7-9-22(17-24)18-29(40)23-10-5-4-6-11-23;1-29(2)21-10-6-9-20(13-21)28-23-24-26-15-22(31(24)12-11-25-23)19-14-27-30(17-19)16-18-7-4-3-5-8-18;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4/h4-17,19-21H,18H2,1-3H3,(H,33,35);3-15,17H,16H2,1-2H3,(H,25,28);5-12,14-15H,13H2,1-4H3,(H,22,25).
What are the key properties of 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine has a molecular weight of 1312.61 g/mol, XLogP of 14.54, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;2-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]-1-phenylethanone;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is sourced from PubChem (CID 123503954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).