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

C105H113N41O6S5 — CID 157259790

IUPAC1-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
SMILESCCN(CC)C(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCNC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCNCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)NC4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C22H24N8OS.C21H23N9OS.C21H22N8O2S.C21H24N8OS.C20H20N8OS/c1-14-11-18(29-28-14)26-22-27-20(12-19-24-9-10-30(19)22)32-17-6-4-16(5-7-17)25-21(31)15-3-2-8-23-13-15;1-14-12-17(28-27-14)25-20-26-19(13-18-23-8-11-30(18)20)32-16-4-2-15(3-5-16)24-21(31)29-9-6-22-7-10-29;1-14-12-17(27-26-14)24-20-25-19(13-18-22-6-7-29(18)20)32-16-4-2-15(3-5-16)23-21(30)28-8-10-31-11-9-28;1-4-28(5-2)21(30)23-15-6-8-16(9-7-15)31-19-13-18-22-10-11-29(18)20(25-19)24-17-12-14(3)26-27-17;1-12-10-16(27-26-12)24-19-25-18(11-17-21-8-9-28(17)19)30-15-6-4-14(5-7-15)23-20(29)22-13-2-3-13/h4-7,9-12,15,23H,2-3,8,13H2,1H3,(H,25,31)(H2,26,27,28,29);2-5,8,11-13,22H,6-7,9-10H2,1H3,(H,24,31)(H2,25,26,27,28);2-7,12-13H,8-11H2,1H3,(H,23,30)(H2,24,25,26,27);6-13H,4-5H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H2,22,23,29)(H2,24,25,26,27)
InChIKeyAXHZRKAZCJLQJV-UHFFFAOYSA-N
MW2205.67 g/mol
LogP18.67
Rot. Bonds29

About 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

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 (PubChem CID 157259790) has the molecular formula C105H113N41O6S5 and a molecular weight of 2205.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157259790
Molecular FormulaC105H113N41O6S5
Molecular Weight2205.67 g/mol
Exact Mass2203.84
IUPAC Name1-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
SMILESCCN(CC)C(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCNC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCNCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)NC4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C22H24N8OS.C21H23N9OS.C21H22N8O2S.C21H24N8OS.C20H20N8OS/c1-14-11-18(29-28-14)26-22-27-20(12-19-24-9-10-30(19)22)32-17-6-4-16(5-7-17)25-21(31)15-3-2-8-23-13-15;1-14-12-17(28-27-14)25-20-26-19(13-18-23-8-11-30(18)20)32-16-4-2-15(3-5-16)24-21(31)29-9-6-22-7-10-29;1-14-12-17(27-26-14)24-20-25-19(13-18-22-6-7-29(18)20)32-16-4-2-15(3-5-16)23-21(30)28-8-10-31-11-9-28;1-4-28(5-2)21(30)23-15-6-8-16(9-7-15)31-19-13-18-22-10-11-29(18)20(25-19)24-17-12-14(3)26-27-17;1-12-10-16(27-26-12)24-19-25-18(11-17-21-8-9-28(17)19)30-15-6-4-14(5-7-15)23-20(29)22-13-2-3-13/h4-7,9-12,15,23H,2-3,8,13H2,1H3,(H,25,31)(H2,26,27,28,29);2-5,8,11-13,22H,6-7,9-10H2,1H3,(H,24,31)(H2,25,26,27,28);2-7,12-13H,8-11H2,1H3,(H,23,30)(H2,24,25,26,27);6-13H,4-5H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H2,22,23,29)(H2,24,25,26,27)
InChIKeyAXHZRKAZCJLQJV-UHFFFAOYSA-N
XLogP18.67
TPSA555.04 Ų
H-Bond Donors18
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002205.67
LogP ≤ 518.67
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-[2-(azetidin-1-yl)ethyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(3-ethyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 157519453
N-[4-[4-(3,3-difluoropiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158969693
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide
CID 59298870
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 59298888
N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 68581526
N-cyclopropyl-2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;2-[3-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-propan-2-ylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-(4-methylphenyl)acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenylsulfanyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]-1H-pyrazol-5-yl]acetamide;N-(4-methylphenyl)-2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 157142987
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethanol;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol
CID 157630940
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
N-[6-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-anilino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(cyclohexylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157987350
N-[4-[3-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;N-[4-[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 158038804
2-[4-[4-(4-benzylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;2-[4-[4-(4-benzylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]ethanone;1-[4-[4-(N-methylanilino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]butan-2-one
CID 158115384
N-[4-[2-(chloromethyl)-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide;1-methylpiperazine
CID 158334395

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCNC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCNCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)N4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)NC4CC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is AXHZRKAZCJLQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS.C21H23N9OS.C21H22N8O2S.C21H24N8OS.C20H20N8OS/c1-14-11-18(29-28-14)26-22-27-20(12-19-24-9-10-30(19)22)32-17-6-4-16(5-7-17)25-21(31)15-3-2-8-23-13-15;1-14-12-17(28-27-14)25-20-26-19(13-18-23-8-11-30(18)20)32-16-4-2-15(3-5-16)24-21(31)29-9-6-22-7-10-29;1-14-12-17(27-26-14)24-20-25-19(13-18-22-6-7-29(18)20)32-16-4-2-15(3-5-16)23-21(30)28-8-10-31-11-9-28;1-4-28(5-2)21(30)23-15-6-8-16(9-7-15)31-19-13-18-22-10-11-29(18)20(25-19)24-17-12-14(3)26-27-17;1-12-10-16(27-26-12)24-19-25-18(11-17-21-8-9-28(17)19)30-15-6-4-14(5-7-15)23-20(29)22-13-2-3-13/h4-7,9-12,15,23H,2-3,8,13H2,1H3,(H,25,31)(H2,26,27,28,29);2-5,8,11-13,22H,6-7,9-10H2,1H3,(H,24,31)(H2,25,26,27,28);2-7,12-13H,8-11H2,1H3,(H,23,30)(H2,24,25,26,27);6-13H,4-5H2,1-3H3,(H,23,30)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H2,22,23,29)(H2,24,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 2205.67 g/mol, XLogP of 18.67, 29 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157259790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).