N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H24N8 — CID 118482532

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNCc1cccc(CNc2ncnc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)c1
InChIInChI=1S/C24H24N8/c25-12-20-3-1-4-21(11-20)13-26-23-22-16-32(30-24(22)28-17-27-23)15-19-7-5-18(6-8-19)14-31-10-2-9-29-31/h1-11,16-17H,12-15,25H2,(H,26,27,28,30)
InChIKeyMCPILGNGDMCGCC-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.19
Rot. Bonds8

About N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118482532) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118482532
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNCc1cccc(CNc2ncnc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)c1
InChIInChI=1S/C24H24N8/c25-12-20-3-1-4-21(11-20)13-26-23-22-16-32(30-24(22)28-17-27-23)15-19-7-5-18(6-8-19)14-31-10-2-9-29-31/h1-11,16-17H,12-15,25H2,(H,26,27,28,30)
InChIKeyMCPILGNGDMCGCC-UHFFFAOYSA-N
XLogP3.19
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482344
2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482168
N-[(2-fluoro-3,6-dimethoxyphenyl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482100
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 75431705
2-fluoro-4-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]benzonitrile
CID 118481970
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
1-[[4-[[4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methyl]pyridin-2-one
CID 118481982
N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482526
N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104729869
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482444
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
1-[[4-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methyl]-3-methylpyrimidine-2,4-dione
CID 118482326

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 118482532) is N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is NCc1cccc(CNc2ncnc3nn(Cc4ccc(Cn5cccn5)cc4)cc23)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MCPILGNGDMCGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c25-12-20-3-1-4-21(11-20)13-26-23-22-16-32(30-24(22)28-17-27-23)15-19-7-5-18(6-8-19)14-31-10-2-9-29-31/h1-11,16-17H,12-15,25H2,(H,26,27,28,30).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 424.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118482532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).