4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine

C100H89N23S6 — CID 159435474

IUPAC4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)c(SC2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2cccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(Sc2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C26H28N6S.C25H20N6S.C25H21N5S2.C24H20N6S2/c1-19-24(23-13-16-27-26(29-23)28-20-9-5-3-6-10-20)25(33-22-14-17-31(2)18-15-22)30-32(19)21-11-7-4-8-12-21;1-18-23(22-14-16-27-25(29-22)28-19-9-4-2-5-10-19)24(32-21-13-8-15-26-17-21)30-31(18)20-11-6-3-7-12-20;1-18-23(22-14-15-26-25(28-22)27-19-9-4-2-5-10-19)24(32-17-21-13-8-16-31-21)29-30(18)20-11-6-3-7-12-20;1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h3-13,16,22H,14-15,17-18H2,1-2H3,(H,27,28,29);2-17H,1H3,(H,27,28,29);2-16H,17H2,1H3,(H,26,27,28);2-15H,16H2,1H3,(H,26,27,28)
InChIKeyLRNGSKBBICMEBO-UHFFFAOYSA-N
MW1805.37 g/mol
LogP24.36
Rot. Bonds26

About 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine

4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine (PubChem CID 159435474) has the molecular formula C100H89N23S6 and a molecular weight of 1805.37 g/mol. Its IUPAC name is 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
PubChem CID159435474
Molecular FormulaC100H89N23S6
Molecular Weight1805.37 g/mol
Exact Mass1803.60
IUPAC Name4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)c(SC2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2cccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(Sc2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C26H28N6S.C25H20N6S.C25H21N5S2.C24H20N6S2/c1-19-24(23-13-16-27-26(29-23)28-20-9-5-3-6-10-20)25(33-22-14-17-31(2)18-15-22)30-32(19)21-11-7-4-8-12-21;1-18-23(22-14-16-27-25(29-22)28-19-9-4-2-5-10-19)24(32-21-13-8-15-26-17-21)30-31(18)20-11-6-3-7-12-20;1-18-23(22-14-15-26-25(28-22)27-19-9-4-2-5-10-19)24(32-17-21-13-8-16-31-21)29-30(18)20-11-6-3-7-12-20;1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h3-13,16,22H,14-15,17-18H2,1-2H3,(H,27,28,29);2-17H,1H3,(H,27,28,29);2-16H,17H2,1H3,(H,26,27,28);2-15H,16H2,1H3,(H,26,27,28)
InChIKeyLRNGSKBBICMEBO-UHFFFAOYSA-N
XLogP24.36
TPSA251.54 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.37
LogP ≤ 524.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
CID 10182812
N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
CID 88079044
N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-lambda6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 123717511
N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145245126
N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 145245160
N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 145249141
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157090702
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157142389
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;1,3-dimethyl-2-[(2-methylphenyl)methyl]imidazol-1-ium;ethane;methane;1-methyl-2-[(2-methylphenyl)methyl]pyridin-1-ium;1-methyl-6-[(2-methylphenyl)methyl]pyrimidin-1-ium;1-methyl-2-(2-methylphenyl)pyrazin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;1-methyl-2-(2-methylphenyl)-1,3,5-triazin-1-ium;(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171895
3-Phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 157180221

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine (CID 159435474) is 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine is Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SC2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2cccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1.Cc1c(-c2ccnc(Nc3ccccc3)n2)c(Sc2cccnc2)nn1-c1ccccc1.
What is the InChIKey of 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is LRNGSKBBICMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6S.C25H20N6S.C25H21N5S2.C24H20N6S2/c1-19-24(23-13-16-27-26(29-23)28-20-9-5-3-6-10-20)25(33-22-14-17-31(2)18-15-22)30-32(19)21-11-7-4-8-12-21;1-18-23(22-14-16-27-25(29-22)28-19-9-4-2-5-10-19)24(32-21-13-8-15-26-17-21)30-31(18)20-11-6-3-7-12-20;1-18-23(22-14-15-26-25(28-22)27-19-9-4-2-5-10-19)24(32-17-21-13-8-16-31-21)29-30(18)20-11-6-3-7-12-20;1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h3-13,16,22H,14-15,17-18H2,1-2H3,(H,27,28,29);2-17H,1H3,(H,27,28,29);2-16H,17H2,1H3,(H,26,27,28);2-15H,16H2,1H3,(H,26,27,28).
What are the key properties of 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 1805.37 g/mol, XLogP of 24.36, 26 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(1-methylpiperidin-4-yl)sulfanyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine;4-[5-methyl-1-phenyl-3-(thiophen-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 159435474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).