1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H26N8 — CID 162633743

IUPAC1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCn1nc(CC(C)C)c2c(NCc3[nH]nc4ncccc34)ncnc21
InChIInChI=1S/C20H26N8/c1-4-5-9-28-20-17(15(27-28)10-13(2)3)19(23-12-24-20)22-11-16-14-7-6-8-21-18(14)26-25-16/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,25,26)(H,22,23,24)
InChIKeyCWOHLAMYJDDBMO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.71
Rot. Bonds8

About 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162633743) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID162633743
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCn1nc(CC(C)C)c2c(NCc3[nH]nc4ncccc34)ncnc21
InChIInChI=1S/C20H26N8/c1-4-5-9-28-20-17(15(27-28)10-13(2)3)19(23-12-24-20)22-11-16-14-7-6-8-21-18(14)26-25-16/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,25,26)(H,22,23,24)
InChIKeyCWOHLAMYJDDBMO-UHFFFAOYSA-N
XLogP3.71
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
CID 157013829
1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157013344
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 162630698
1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 157012782
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 162625527
(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 164696494
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 138381067
N-benzyl-9-heptylpurin-6-amine
CID 71371736
2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
CID 83149526
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 138382520

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 162633743) is 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCCn1nc(CC(C)C)c2c(NCc3[nH]nc4ncccc34)ncnc21.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CWOHLAMYJDDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-4-5-9-28-20-17(15(27-28)10-13(2)3)19(23-12-24-20)22-11-16-14-7-6-8-21-18(14)26-25-16/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,21,25,26)(H,22,23,24).
What are the key properties of 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162633743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).