6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C18H27N7 — CID 56886523

IUPAC6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cc(C(C)(C)C)n[nH]3)nc(C(C)(C)C)nc21
InChIInChI=1S/C18H27N7/c1-17(2,3)13-8-11(23-24-13)9-19-14-12-10-20-25(7)15(12)22-16(21-14)18(4,5)6/h8,10H,9H2,1-7H3,(H,23,24)(H,19,21,22)
InChIKeyJZLOYNYCKZLXDN-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.29
Rot. Bonds3

About 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56886523) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56886523
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cc(C(C)(C)C)n[nH]3)nc(C(C)(C)C)nc21
InChIInChI=1S/C18H27N7/c1-17(2,3)13-8-11(23-24-13)9-19-14-12-10-20-25(7)15(12)22-16(21-14)18(4,5)6/h8,10H,9H2,1-7H3,(H,23,24)(H,19,21,22)
InChIKeyJZLOYNYCKZLXDN-UHFFFAOYSA-N
XLogP3.29
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56886523) is 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3cc(C(C)(C)C)n[nH]3)nc(C(C)(C)C)nc21.
What is the InChIKey of 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JZLOYNYCKZLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-17(2,3)13-8-11(23-24-13)9-19-14-12-10-20-25(7)15(12)22-16(21-14)18(4,5)6/h8,10H,9H2,1-7H3,(H,23,24)(H,19,21,22).
What are the key properties of 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56886523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).