tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C102H115N35S3 — CID 158679659

IUPACtris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/2C21H23N7.3C20H23N7S/c1-27-14-16(12-23-27)17-13-24-28-20(26-19-9-5-6-10-22-19)11-18(25-21(17)28)15-7-3-2-4-8-15;1-27-14-16(11-23-27)18-13-24-28-20(25-17-8-5-9-22-12-17)10-19(26-21(18)28)15-6-3-2-4-7-15;3*1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,22,26);5,8-15,25H,2-4,6-7H2,1H3;3*8-12,14,24H,3-7H2,1-2H3
InChIKeyIEYNLOOEEJYVSD-UHFFFAOYSA-N
MW1927.49 g/mol
LogP22.69
Rot. Bonds20

About tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158679659) has the molecular formula C102H115N35S3 and a molecular weight of 1927.49 g/mol. Its IUPAC name is tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nametris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158679659
Molecular FormulaC102H115N35S3
Molecular Weight1927.49 g/mol
Exact Mass1925.92
IUPAC Nametris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/2C21H23N7.3C20H23N7S/c1-27-14-16(12-23-27)17-13-24-28-20(26-19-9-5-6-10-22-19)11-18(25-21(17)28)15-7-3-2-4-8-15;1-27-14-16(11-23-27)18-13-24-28-20(25-17-8-5-9-22-12-17)10-19(26-21(18)28)15-6-3-2-4-7-15;3*1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,22,26);5,8-15,25H,2-4,6-7H2,1H3;3*8-12,14,24H,3-7H2,1-2H3
InChIKeyIEYNLOOEEJYVSD-UHFFFAOYSA-N
XLogP22.69
TPSA364.65 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.49
LogP ≤ 522.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[6-methyl-3-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 70683503
8-[2-(Difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 158323489
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(pyridin-4-ylmethyl)acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 158980357
N-(2,5-difluorophenyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 159984132
5-anilino-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione;5-anilino-8,11,12-trimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-N-phenyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-5-amine;(11R,15S)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-8-methyl-N-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine;N-(4-fluorophenyl)-8-methyl-7-methylimino-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine
CID 160131700
8-(2-Cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 161206133
N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
CID 161493767
4-[3-(1,1-difluoroethyl)phenyl]-N-(1,3-dihydroindol-2-ylidene)piperazine-1-carbothioamide;4-[3-(1,1-difluoroethyl)phenyl]-N-(1-methylbenzimidazol-2-yl)piperazine-1-carbothioamide;N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(5-phenyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(pyridin-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;N-(1H-1,2,4-triazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 163417446
5-[3-[7-[3-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]-5-methylthiophen-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 162602273
3-methyl-N-[3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
CID 58364807
N-[3-(1-methylpyrrol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 58824257
4,9,14-Triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
CID 58831202

Frequently Asked Questions

What is the IUPAC name of tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158679659) is tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IEYNLOOEEJYVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N7.3C20H23N7S/c1-27-14-16(12-23-27)17-13-24-28-20(26-19-9-5-6-10-22-19)11-18(25-21(17)28)15-7-3-2-4-8-15;1-27-14-16(11-23-27)18-13-24-28-20(25-17-8-5-9-22-12-17)10-19(26-21(18)28)15-6-3-2-4-7-15;3*1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,22,26);5,8-15,25H,2-4,6-7H2,1H3;3*8-12,14,24H,3-7H2,1-2H3.
What are the key properties of tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1927.49 g/mol, XLogP of 22.69, 20 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158679659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).