N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C59H65F4N17O3S — CID 143756373

IUPACN-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC.CCn1cc(-c2cnc3c(Nc4ccc(CN5CCOCC5)cc4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCCC3)s2)n1.O=CNc1cccc(F)c1F
InChIInChI=1S/C27H27F2N9OS.C23H27N7O.C7H5F2NO.C2H6/c1-17-13-38-21(18-10-32-37(14-18)15-22(39)34-20-7-5-6-19(28)25(20)29)11-31-27(38)26(33-17)35-23-12-30-24(40-23)16-36-8-3-2-4-9-36;1-3-29-16-19(12-25-29)21-13-24-23-22(26-17(2)14-30(21)23)27-20-6-4-18(5-7-20)15-28-8-10-31-11-9-28;8-5-2-1-3-6(7(5)9)10-4-11;1-2/h5-7,10-14H,2-4,8-9,15-16H2,1H3,(H,33,35)(H,34,39);4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,26,27);1-4H,(H,10,11);1-2H3
InChIKeyHGYPIDLERKOOQE-UHFFFAOYSA-N
MW1168.34 g/mol
LogP11.06
Rot. Bonds16

About N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143756373) has the molecular formula C59H65F4N17O3S and a molecular weight of 1168.34 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143756373
Molecular FormulaC59H65F4N17O3S
Molecular Weight1168.34 g/mol
Exact Mass1167.51
IUPAC NameN-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC.CCn1cc(-c2cnc3c(Nc4ccc(CN5CCOCC5)cc4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCCC3)s2)n1.O=CNc1cccc(F)c1F
InChIInChI=1S/C27H27F2N9OS.C23H27N7O.C7H5F2NO.C2H6/c1-17-13-38-21(18-10-32-37(14-18)15-22(39)34-20-7-5-6-19(28)25(20)29)11-31-27(38)26(33-17)35-23-12-30-24(40-23)16-36-8-3-2-4-9-36;1-3-29-16-19(12-25-29)21-13-24-23-22(26-17(2)14-30(21)23)27-20-6-4-18(5-7-20)15-28-8-10-31-11-9-28;8-5-2-1-3-6(7(5)9)10-4-11;1-2/h5-7,10-14H,2-4,8-9,15-16H2,1H3,(H,33,35)(H,34,39);4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,26,27);1-4H,(H,10,11);1-2H3
InChIKeyHGYPIDLERKOOQE-UHFFFAOYSA-N
XLogP11.06
TPSA206.88 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.34
LogP ≤ 511.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503486
N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503760
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-[4-methyl-2-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564784
2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;5-(3-methylbutyl)-1,3-thiazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 157232677
N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide
CID 159011746
N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 159984132
2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;4,5-dimethyl-1-(2-methylpropyl)triazole;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 161576503
ethyl 2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetate;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetic acid;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;methane;1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 167594687
N-[1-acetyl-5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168886182
5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
CID 168886274
(8S,11S,15R)-10-[1-(2,4-difluorophenyl)-6-[3-(1,3-thiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-15-methoxy-13,18-dimethyl-7,10,13,17,19,23,26-heptazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(23),2(26),3,5,18,20(24),21-heptaen-12-one
CID 176185654

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 143756373) is N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is CC.CCn1cc(-c2cnc3c(Nc4ccc(CN5CCOCC5)cc4)nc(C)cn23)cn1.Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCCC3)s2)n1.O=CNc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HGYPIDLERKOOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9OS.C23H27N7O.C7H5F2NO.C2H6/c1-17-13-38-21(18-10-32-37(14-18)15-22(39)34-20-7-5-6-19(28)25(20)29)11-31-27(38)26(33-17)35-23-12-30-24(40-23)16-36-8-3-2-4-9-36;1-3-29-16-19(12-25-29)21-13-24-23-22(26-17(2)14-30(21)23)27-20-6-4-18(5-7-20)15-28-8-10-31-11-9-28;8-5-2-1-3-6(7(5)9)10-4-11;1-2/h5-7,10-14H,2-4,8-9,15-16H2,1H3,(H,33,35)(H,34,39);4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,26,27);1-4H,(H,10,11);1-2H3.
What are the key properties of N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1168.34 g/mol, XLogP of 11.06, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143756373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).