1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C129H131N21 — CID 158122724

IUPAC1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC(CCCCCc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.C(CCCCCc1ncnc2c1cnn2Cc1ccccc1)=C(c1ccccc1)c1ccccc1.C(CCCNc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.CC(C)n1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21.Cn1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21
InChIInChI=1S/C31H30N4.C27H30N4.C25H26N4.C24H24N4.C22H21N5/c1(12-20-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27)2-13-21-30-29-22-34-35(31(29)33-24-32-30)23-25-14-6-3-7-15-25;1-21(2)31-27-25(19-30-31)26(28-20-29-27)18-12-4-3-11-17-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;1-29-25-23(18-28-29)24(26-19-27-25)17-11-3-2-10-16-22(20-12-6-4-7-13-20)21-14-8-5-9-15-21;1(2-10-16-23-22-17-27-28-24(22)26-18-25-23)9-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)13-7-8-14-23-21-20-15-26-27-22(20)25-16-24-21/h3-11,14-20,22,24H,1-2,12-13,21,23H2;5-10,13-17,19-21H,3-4,11-12,18H2,1-2H3;4-9,12-16,18-19H,2-3,10-11,17H2,1H3;3-8,11-15,17-18H,1-2,9-10,16H2,(H,25,26,27,28);1-6,9-13,15-16H,7-8,14H2,(H2,23,24,25,26,27)
InChIKeyFRUIINHIIJVXQG-UHFFFAOYSA-N
MW1975.61 g/mol
LogP29.61
Rot. Bonds42

About 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158122724) has the molecular formula C129H131N21 and a molecular weight of 1975.61 g/mol. Its IUPAC name is 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID158122724
Molecular FormulaC129H131N21
Molecular Weight1975.61 g/mol
Exact Mass1974.09
IUPAC Name1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC(CCCCCc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.C(CCCCCc1ncnc2c1cnn2Cc1ccccc1)=C(c1ccccc1)c1ccccc1.C(CCCNc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.CC(C)n1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21.Cn1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21
InChIInChI=1S/C31H30N4.C27H30N4.C25H26N4.C24H24N4.C22H21N5/c1(12-20-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27)2-13-21-30-29-22-34-35(31(29)33-24-32-30)23-25-14-6-3-7-15-25;1-21(2)31-27-25(19-30-31)26(28-20-29-27)18-12-4-3-11-17-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;1-29-25-23(18-28-29)24(26-19-27-25)17-11-3-2-10-16-22(20-12-6-4-7-13-20)21-14-8-5-9-15-21;1(2-10-16-23-22-17-27-28-24(22)26-18-25-23)9-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)13-7-8-14-23-21-20-15-26-27-22(20)25-16-24-21/h3-11,14-20,22,24H,1-2,12-13,21,23H2;5-10,13-17,19-21H,3-4,11-12,18H2,1-2H3;4-9,12-16,18-19H,2-3,10-11,17H2,1H3;3-8,11-15,17-18H,1-2,9-10,16H2,(H,25,26,27,28);1-6,9-13,15-16H,7-8,14H2,(H2,23,24,25,26,27)
InChIKeyFRUIINHIIJVXQG-UHFFFAOYSA-N
XLogP29.61
TPSA251.75 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.61
LogP ≤ 529.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[1-({4-[3-phenyl-5-(1H-1,2,4-triazol-3-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11421183
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
7-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837197
3-(1h-Indazol-4-yl)-7-(4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 52949635
N-[[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137034068
N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137034209
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137034346
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137116975
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145040
US10730877, Example 787
CID 138725722
N-[[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 138604280

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158122724) is 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is C(CCCCCc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.C(CCCCCc1ncnc2c1cnn2Cc1ccccc1)=C(c1ccccc1)c1ccccc1.C(CCCNc1ncnc2[nH]ncc12)=C(c1ccccc1)c1ccccc1.CC(C)n1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21.Cn1ncc2c(CCCCCC=C(c3ccccc3)c3ccccc3)ncnc21.
What is the InChIKey of 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FRUIINHIIJVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4.C27H30N4.C25H26N4.C24H24N4.C22H21N5/c1(12-20-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27)2-13-21-30-29-22-34-35(31(29)33-24-32-30)23-25-14-6-3-7-15-25;1-21(2)31-27-25(19-30-31)26(28-20-29-27)18-12-4-3-11-17-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;1-29-25-23(18-28-29)24(26-19-27-25)17-11-3-2-10-16-22(20-12-6-4-7-13-20)21-14-8-5-9-15-21;1(2-10-16-23-22-17-27-28-24(22)26-18-25-23)9-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)13-7-8-14-23-21-20-15-26-27-22(20)25-16-24-21/h3-11,14-20,22,24H,1-2,12-13,21,23H2;5-10,13-17,19-21H,3-4,11-12,18H2,1-2H3;4-9,12-16,18-19H,2-3,10-11,17H2,1H3;3-8,11-15,17-18H,1-2,9-10,16H2,(H,25,26,27,28);1-6,9-13,15-16H,7-8,14H2,(H2,23,24,25,26,27).
What are the key properties of 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1975.61 g/mol, XLogP of 29.61, 42 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(7,7-diphenylhept-6-enyl)pyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-methylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-(7,7-diphenylhept-6-enyl)-1H-pyrazolo[3,4-d]pyrimidine;N-(5,5-diphenylpent-4-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158122724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).