2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide

C61H55F12N21O5 — CID 158109900

IUPAC2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide
SMILESCCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.FC(F)(F)Oc1ccc(Nc2ncnc3nn(C4CCCCC4)cc23)cc1.NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
InChIInChI=1S/C18H18F3N5O.C15H14F3N5O.C14H11F3N6O2.C14H12F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16;1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18;15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12;1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h6-11,13H,1-5H2,(H,22,23,24,25);3-6,8-9H,2,7H2,1H3,(H,19,20,21,22);1-5,7H,6H2,(H2,18,24)(H,19,20,21,22);3-8H,2H2,1H3,(H,18,19,20,21)
InChIKeyFQHJSNPKRLSAKK-UHFFFAOYSA-N
MW1390.23 g/mol
LogP14.29
Rot. Bonds18

About 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide

2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide (PubChem CID 158109900) has the molecular formula C61H55F12N21O5 and a molecular weight of 1390.23 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide
PubChem CID158109900
Molecular FormulaC61H55F12N21O5
Molecular Weight1390.23 g/mol
Exact Mass1389.45
IUPAC Name2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide
SMILESCCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.FC(F)(F)Oc1ccc(Nc2ncnc3nn(C4CCCCC4)cc23)cc1.NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
InChIInChI=1S/C18H18F3N5O.C15H14F3N5O.C14H11F3N6O2.C14H12F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16;1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18;15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12;1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h6-11,13H,1-5H2,(H,22,23,24,25);3-6,8-9H,2,7H2,1H3,(H,19,20,21,22);1-5,7H,6H2,(H2,18,24)(H,19,20,21,22);3-8H,2H2,1H3,(H,18,19,20,21)
InChIKeyFQHJSNPKRLSAKK-UHFFFAOYSA-N
XLogP14.29
TPSA302.53 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.23
LogP ≤ 514.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide with MolForge

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Related Compounds

2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo[3,4-d]pyrimidin-2-yl)acetamide
CID 42633668
2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetamide
CID 49782105
2-[4-(Pyrrolidin-1-YL)-1H-pyrazolo[3,4-D]pyrimidin-1-YL]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53196273
2-[4-(4-Phenylpiperazin-1-YL)-1H-pyrazolo[3,4-D]pyrimidin-1-YL]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53196569
2-[4-(4-Methylpiperidin-1-YL)-1H-pyrazolo[3,4-D]pyrimidin-1-YL]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53196630
2-{4-[4-(Pyridin-2-YL)piperazin-1-YL]-1H-pyrazolo[3,4-D]pyrimidin-1-YL}-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53196716
(3S)-4-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperazine-1-carboxamide
CID 76283783
1-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 87526047
CID 118499506
CID 118499506
[N-[6-[[2-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-3-methylimidazo[4,5-b]pyridin-2-yl]-4-(trifluoromethoxy)anilino] thiohypofluorite;ethane
CID 156838281
2-[4-Methyl-3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 156838293
2-[3-[[4-[Methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 156838304

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide (CID 158109900) is 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide is CCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.FC(F)(F)Oc1ccc(Nc2ncnc3nn(C4CCCCC4)cc23)cc1.NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1.
What is the InChIKey of 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide?
The InChIKey is FQHJSNPKRLSAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O.C15H14F3N5O.C14H11F3N6O2.C14H12F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16;1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18;15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12;1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h6-11,13H,1-5H2,(H,22,23,24,25);3-6,8-9H,2,7H2,1H3,(H,19,20,21,22);1-5,7H,6H2,(H2,18,24)(H,19,20,21,22);3-8H,2H2,1H3,(H,18,19,20,21).
What are the key properties of 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide?
2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide has a molecular weight of 1390.23 g/mol, XLogP of 14.29, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 158109900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).