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

C99H97N35O5S5 — CID 158038804

IUPACN-[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
SMILESCC(=O)Nc1ccc(Sc2cc3cnc(C)n3c(Nc3cc(C)[nH]n3)n2)cc1.CC(=O)Nc1ccc(Sc2cc3cncn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cnc(C)n23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cn3c(C)cnc23)n[nH]1
InChIInChI=1S/2C21H21N7OS.C20H19N7OS.C19H19N7OS.C18H17N7OS/c1-12-9-18(27-26-12)24-21-25-19(10-16-11-22-13(2)28(16)21)30-17-7-5-15(6-8-17)23-20(29)14-3-4-14;1-12-9-17(27-26-12)24-19-20-22-10-13(2)28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-12-8-17(26-25-12)23-20-24-18(9-15-10-21-11-27(15)20)29-16-6-4-14(5-7-16)22-19(28)13-2-3-13;1-11-8-17(25-24-11)22-19-23-18(9-15-10-20-12(2)26(15)19)28-16-6-4-14(5-7-16)21-13(3)27;1-11-7-16(24-23-11)21-18-22-17(8-14-9-19-10-25(14)18)27-15-5-3-13(4-6-15)20-12(2)26/h2*5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26);4-10H,1-3H3,(H,21,27)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyFICCFLYRBWNOMK-UHFFFAOYSA-N
MW2017.44 g/mol
LogP20.17
Rot. Bonds28

About 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

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 (PubChem CID 158038804) has the molecular formula C99H97N35O5S5 and a molecular weight of 2017.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158038804
Molecular FormulaC99H97N35O5S5
Molecular Weight2017.44 g/mol
Exact Mass2015.70
IUPAC NameN-[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
SMILESCC(=O)Nc1ccc(Sc2cc3cnc(C)n3c(Nc3cc(C)[nH]n3)n2)cc1.CC(=O)Nc1ccc(Sc2cc3cncn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cnc(C)n23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cn3c(C)cnc23)n[nH]1
InChIInChI=1S/2C21H21N7OS.C20H19N7OS.C19H19N7OS.C18H17N7OS/c1-12-9-18(27-26-12)24-21-25-19(10-16-11-22-13(2)28(16)21)30-17-7-5-15(6-8-17)23-20(29)14-3-4-14;1-12-9-17(27-26-12)24-19-20-22-10-13(2)28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-12-8-17(26-25-12)23-20-24-18(9-15-10-21-11-27(15)20)29-16-6-4-14(5-7-16)22-19(28)13-2-3-13;1-11-8-17(25-24-11)22-19-23-18(9-15-10-20-12(2)26(15)19)28-16-6-4-14(5-7-16)21-13(3)27;1-11-7-16(24-23-11)21-18-22-17(8-14-9-19-10-25(14)18)27-15-5-3-13(4-6-15)20-12(2)26/h2*5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26);4-10H,1-3H3,(H,21,27)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyFICCFLYRBWNOMK-UHFFFAOYSA-N
XLogP20.17
TPSA500.00 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002017.44
LogP ≤ 520.17
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 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 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
6-(4-cyclohexylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]sulfanyl]pyrimidin-4-amine;6-(1-cyclopropylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;N-(4-methyl-1H-pyrrol-2-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]sulfanyl]pyrimidin-4-amine;molecular hydrogen
CID 161489031
N-[4-[2-[(4-methylpiperazin-1-yl)methyl]-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 59298925
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
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(3-methyl-6-methylideneocta-2,4-dien-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137141276
3-methyl-N-[5-[7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 145664871
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
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
N-[4-[4-[(1,3-diamino-3-cyclopropylprop-2-enylidene)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[3-fluoro-4-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 157791899
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccc(Sc2cc3cnc(C)n3c(Nc3cc(C)[nH]n3)n2)cc1.CC(=O)Nc1ccc(Sc2cc3cncn3c(Nc3cc(C)[nH]n3)n2)cc1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cnc(C)n23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cn3c(C)cnc23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is FICCFLYRBWNOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N7OS.C20H19N7OS.C19H19N7OS.C18H17N7OS/c1-12-9-18(27-26-12)24-21-25-19(10-16-11-22-13(2)28(16)21)30-17-7-5-15(6-8-17)23-20(29)14-3-4-14;1-12-9-17(27-26-12)24-19-20-22-10-13(2)28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-12-8-17(26-25-12)23-20-24-18(9-15-10-21-11-27(15)20)29-16-6-4-14(5-7-16)22-19(28)13-2-3-13;1-11-8-17(25-24-11)22-19-23-18(9-15-10-20-12(2)26(15)19)28-16-6-4-14(5-7-16)21-13(3)27;1-11-7-16(24-23-11)21-18-22-17(8-14-9-19-10-25(14)18)27-15-5-3-13(4-6-15)20-12(2)26/h2*5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);4-11,13H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26);4-10H,1-3H3,(H,21,27)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H2,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 2017.44 g/mol, XLogP of 20.17, 28 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158038804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).