bis(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

C82H92N28S2 — CID 123182332

IUPACbis(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.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/2C21H23N7.2C20H23N7S/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;2*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;2*8-12,14,24H,3-7H2,1-2H3
InChIKeyHBAAGXRPNQIVOM-UHFFFAOYSA-N
MW1533.97 g/mol
LogP18.00
Rot. Bonds16

About bis(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

bis(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 123182332) has the molecular formula C82H92N28S2 and a molecular weight of 1533.97 g/mol. Its IUPAC name is bis(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 Namebis(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 CID123182332
Molecular FormulaC82H92N28S2
Molecular Weight1533.97 g/mol
Exact Mass1532.75
IUPAC Namebis(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.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/2C21H23N7.2C20H23N7S/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;2*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;2*8-12,14,24H,3-7H2,1-2H3
InChIKeyHBAAGXRPNQIVOM-UHFFFAOYSA-N
XLogP18.00
TPSA291.72 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.97
LogP ≤ 518.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze bis(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
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143460535
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
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4S)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159156434
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
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
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
N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
CID 58364778
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

Frequently Asked Questions

What is the IUPAC name of bis(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 bis(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 123182332) is bis(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 bis(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 bis(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.Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of bis(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 HBAAGXRPNQIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N7.2C20H23N7S/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;2*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;2*8-12,14,24H,3-7H2,1-2H3.
What are the key properties of bis(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?
bis(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 1533.97 g/mol, XLogP of 18.00, 16 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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 123182332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).