7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide

C100H108N38O4S5 — CID 159842447

IUPAC7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCNCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.CNc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NCC4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H26N8O2S.C21H24N8OS.C20H21N7S.C19H20N8OS.C17H17N7S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30;1-14-12-17(27-26-14)24-21-25-19(13-18-22-9-11-29(18)21)31-16-6-4-15(5-7-16)20(30)23-8-10-28(2)3;1-13-10-17(26-25-13)23-20-24-19(11-18-21-8-9-27(18)20)28-16-6-4-15(5-7-16)22-12-14-2-3-14;1-12-9-15(26-25-12)23-19-24-18(10-16-21-7-8-27(16)19)29-14-5-3-13(4-6-14)22-17(28)11-20-2;1-11-9-14(23-22-11)20-17-21-16(10-15-19-7-8-24(15)17)25-13-5-3-12(18-2)4-6-13/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29);4-7,9,11-13H,8,10H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,14,22H,2-3,12H2,1H3,(H2,23,24,25,26);3-10,20H,11H2,1-2H3,(H,22,28)(H2,23,24,25,26);3-10,18H,1-2H3,(H2,20,21,22,23)
InChIKeyNOVUZCIKQTWQFC-UHFFFAOYSA-N
MW2066.56 g/mol
LogP16.65
Rot. Bonds35

About 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide

7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 159842447) has the molecular formula C100H108N38O4S5 and a molecular weight of 2066.56 g/mol. Its IUPAC name is 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID159842447
Molecular FormulaC100H108N38O4S5
Molecular Weight2066.56 g/mol
Exact Mass2064.80
IUPAC Name7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCNCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.CNc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NCC4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H26N8O2S.C21H24N8OS.C20H21N7S.C19H20N8OS.C17H17N7S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30;1-14-12-17(27-26-14)24-21-25-19(13-18-22-9-11-29(18)21)31-16-6-4-15(5-7-16)20(30)23-8-10-28(2)3;1-13-10-17(26-25-13)23-20-24-19(11-18-21-8-9-27(18)20)28-16-6-4-15(5-7-16)22-12-14-2-3-14;1-12-9-15(26-25-12)23-19-24-18(10-16-21-7-8-27(16)19)29-14-5-3-13(4-6-14)22-17(28)11-20-2;1-11-9-14(23-22-11)20-17-21-16(10-15-19-7-8-24(15)17)25-13-5-3-12(18-2)4-6-13/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29);4-7,9,11-13H,8,10H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,14,22H,2-3,12H2,1H3,(H2,23,24,25,26);3-10,20H,11H2,1-2H3,(H,22,28)(H2,23,24,25,26);3-10,18H,1-2H3,(H2,20,21,22,23)
InChIKeyNOVUZCIKQTWQFC-UHFFFAOYSA-N
XLogP16.65
TPSA493.60 Ų
H-Bond Donors16
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002066.56
LogP ≤ 516.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1039

Analyze 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

7-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)isoquinolin-1-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158046826
5-[4-(4-cyclohexylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2-difluoropropyl)-3H-isoindol-1-one;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 158091279
N-[3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;7-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)isoquinolin-1-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;6-(3-cyclopropyl-3-fluorocyclobutyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 161005622
N-[3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;7-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)isoquinolin-1-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine;6-(3-cyclopropyl-3-fluorocyclobutyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 161809499
4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46893316
[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone
CID 59299198
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 157087300
1-cyclopropyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea;1,1-diethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]piperazine-1-carboxamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]piperidine-3-carboxamide
CID 157259790
2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157276726
N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 157478150
5-(6-amino-3-pyridinyl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
CID 157815211
2-amino-2-methyl-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclobutane-1-carboxamide;1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopentane-1-carboxamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-3-carboxamide
CID 157864173

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide (CID 159842447) is 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide is CNCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.CNc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NCC4CC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is NOVUZCIKQTWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2S.C21H24N8OS.C20H21N7S.C19H20N8OS.C17H17N7S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30;1-14-12-17(27-26-14)24-21-25-19(13-18-22-9-11-29(18)21)31-16-6-4-15(5-7-16)20(30)23-8-10-28(2)3;1-13-10-17(26-25-13)23-20-24-19(11-18-21-8-9-27(18)20)28-16-6-4-15(5-7-16)22-12-14-2-3-14;1-12-9-15(26-25-12)23-19-24-18(10-16-21-7-8-27(16)19)29-14-5-3-13(4-6-14)22-17(28)11-20-2;1-11-9-14(23-22-11)20-17-21-16(10-15-19-7-8-24(15)17)25-13-5-3-12(18-2)4-6-13/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29);4-7,9,11-13H,8,10H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,14,22H,2-3,12H2,1H3,(H2,23,24,25,26);3-10,20H,11H2,1-2H3,(H,22,28)(H2,23,24,25,26);3-10,18H,1-2H3,(H2,20,21,22,23).
What are the key properties of 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 2066.56 g/mol, XLogP of 16.65, 35 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropylmethylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[2-(dimethylamino)ethyl]-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylbenzamide;2-(methylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;7-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 159842447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).