N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine

C15H15BrN6 — CID 167910314

IUPACN-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCn1nc(Br)c2c(Nc3ccc4c(c3)CNCC4)ncnc21
InChIInChI=1S/C15H15BrN6/c1-22-15-12(13(16)21-22)14(18-8-19-15)20-11-3-2-9-4-5-17-7-10(9)6-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyYTRNIANCOIJNQS-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.52
Rot. Bonds2

About N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine

N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 167910314) has the molecular formula C15H15BrN6 and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound NameN-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID167910314
Molecular FormulaC15H15BrN6
Molecular Weight359.23 g/mol
Exact Mass358.05
IUPAC NameN-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCn1nc(Br)c2c(Nc3ccc4c(c3)CNCC4)ncnc21
InChIInChI=1S/C15H15BrN6/c1-22-15-12(13(16)21-22)14(18-8-19-15)20-11-3-2-9-4-5-17-7-10(9)6-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyYTRNIANCOIJNQS-UHFFFAOYSA-N
XLogP2.52
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 167910314) is N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine is Cn1nc(Br)c2c(Nc3ccc4c(c3)CNCC4)ncnc21.
What is the InChIKey of N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is YTRNIANCOIJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6/c1-22-15-12(13(16)21-22)14(18-8-19-15)20-11-3-2-9-4-5-17-7-10(9)6-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19,20).
What are the key properties of N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 359.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 167910314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).