6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen

C78H103F7N28S3 — CID 157121403

IUPAC6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
SMILESCc1cc(Nc2cc(N3CCN(C4CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCN(C4CCN(C)CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C5CCN(C)CC5)CC4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H34FN9S.C27H33F3N10S.C23H24F3N9S.6H2/c1-18-4-5-20-15-22(16-23(29)27(20)30-18)39-28-32-24(31-25-14-19(2)34-35-25)17-26(33-28)38-12-10-37(11-13-38)21-6-8-36(3)9-7-21;1-17-14-23(36-35-17)32-22-16-24(40-12-10-39(11-13-40)18-6-8-37(2)9-7-18)34-26(33-22)41-19-4-5-20-21(15-19)38(3)25(31-20)27(28,29)30;1-14-10-19(32-31-14)28-18-11-21(34-8-6-33(7-9-34)15-2-3-15)30-22(29-18)36-16-4-5-20-27-17(23(24,25)26)13-35(20)12-16;;;;;;/h4-5,14-17,21H,6-13H2,1-3H3,(H2,31,32,33,34,35);4-5,14-16,18H,6-13H2,1-3H3,(H2,32,33,34,35,36);4-5,10-13,15H,2-3,6-9H2,1H3,(H2,28,29,30,31,32);6*1H
InChIKeyAHZZNGAVEQEKSE-UHFFFAOYSA-N
MW1662.06 g/mol
LogP14.97
Rot. Bonds18

About 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen

6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen (PubChem CID 157121403) has the molecular formula C78H103F7N28S3 and a molecular weight of 1662.06 g/mol. Its IUPAC name is 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
PubChem CID157121403
Molecular FormulaC78H103F7N28S3
Molecular Weight1662.06 g/mol
Exact Mass1660.80
IUPAC Name6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
SMILESCc1cc(Nc2cc(N3CCN(C4CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCN(C4CCN(C)CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C5CCN(C)CC5)CC4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H34FN9S.C27H33F3N10S.C23H24F3N9S.6H2/c1-18-4-5-20-15-22(16-23(29)27(20)30-18)39-28-32-24(31-25-14-19(2)34-35-25)17-26(33-28)38-12-10-37(11-13-38)21-6-8-36(3)9-7-21;1-17-14-23(36-35-17)32-22-16-24(40-12-10-39(11-13-40)18-6-8-37(2)9-7-18)34-26(33-22)41-19-4-5-20-21(15-19)38(3)25(31-20)27(28,29)30;1-14-10-19(32-31-14)28-18-11-21(34-8-6-33(7-9-34)15-2-3-15)30-22(29-18)36-16-4-5-20-27-17(23(24,25)26)13-35(20)12-16;;;;;;/h4-5,14-17,21H,6-13H2,1-3H3,(H2,31,32,33,34,35);4-5,14-16,18H,6-13H2,1-3H3,(H2,32,33,34,35,36);4-5,10-13,15H,2-3,6-9H2,1H3,(H2,28,29,30,31,32);6*1H
InChIKeyAHZZNGAVEQEKSE-UHFFFAOYSA-N
XLogP14.97
TPSA273.40 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.06
LogP ≤ 514.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
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
6-[[6-(1-Methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-piperazin-1-ylquinoline;6-[[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]quinoline;1,1,1-trifluoro-2-iodoethane
CID 158316037
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2,2-trifluoroacetamide;6-[3-[(3S)-3-fluoropyrrolidin-1-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-6-ylsulfanylpyrimidin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)-2-quinolin-6-ylsulfanylpyrimidin-4-amine;molecular hydrogen
CID 159181347
6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 159871271
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2,2-trifluoroacetamide;6-[3-[(3S)-3-fluoropyrrolidin-1-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-6-ylsulfanylpyrimidin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)-2-quinolin-6-ylsulfanylpyrimidin-4-amine;molecular hydrogen
CID 160713549
6-(4-tert-butylpiperazin-1-yl)-2-(3-methylbenzimidazol-5-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-(4-tert-butylpiperazin-1-yl)-2-(1-methylindazol-5-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-(4-cyclopropylpiperazin-1-yl)-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)quinolin-6-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 161034189
5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 161154997
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen (CID 157121403) is 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen is Cc1cc(Nc2cc(N3CCN(C4CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)cn4c3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCN(C4CCN(C)CC4)CC3)nc(Sc3ccc4nc(C(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C5CCN(C)CC5)CC4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?
The InChIKey is AHZZNGAVEQEKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN9S.C27H33F3N10S.C23H24F3N9S.6H2/c1-18-4-5-20-15-22(16-23(29)27(20)30-18)39-28-32-24(31-25-14-19(2)34-35-25)17-26(33-28)38-12-10-37(11-13-38)21-6-8-36(3)9-7-21;1-17-14-23(36-35-17)32-22-16-24(40-12-10-39(11-13-40)18-6-8-37(2)9-7-18)34-26(33-22)41-19-4-5-20-21(15-19)38(3)25(31-20)27(28,29)30;1-14-10-19(32-31-14)28-18-11-21(34-8-6-33(7-9-34)15-2-3-15)30-22(29-18)36-16-4-5-20-27-17(23(24,25)26)13-35(20)12-16;;;;;;/h4-5,14-17,21H,6-13H2,1-3H3,(H2,31,32,33,34,35);4-5,14-16,18H,6-13H2,1-3H3,(H2,32,33,34,35,36);4-5,10-13,15H,2-3,6-9H2,1H3,(H2,28,29,30,31,32);6*1H.
What are the key properties of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?
6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1662.06 g/mol, XLogP of 14.97, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 157121403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).