6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine

C20H24N6O2 — CID 165171905

IUPAC6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCOc1cc2c(cc1Nc1ncc3c(C)nn(C4COC4)c3n1)CN(C)CC2
InChIInChI=1S/C20H24N6O2/c1-12-16-8-21-20(23-19(16)26(24-12)15-10-28-11-15)22-17-6-14-9-25(2)5-4-13(14)7-18(17)27-3/h6-8,15H,4-5,9-11H2,1-3H3,(H,21,22,23)
InChIKeyCDIHYEWHQQMJFS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.45
Rot. Bonds4

About 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine

6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 165171905) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID165171905
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCOc1cc2c(cc1Nc1ncc3c(C)nn(C4COC4)c3n1)CN(C)CC2
InChIInChI=1S/C20H24N6O2/c1-12-16-8-21-20(23-19(16)26(24-12)15-10-28-11-15)22-17-6-14-9-25(2)5-4-13(14)7-18(17)27-3/h6-8,15H,4-5,9-11H2,1-3H3,(H,21,22,23)
InChIKeyCDIHYEWHQQMJFS-UHFFFAOYSA-N
XLogP2.45
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine (CID 165171905) is 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine is COc1cc2c(cc1Nc1ncc3c(C)nn(C4COC4)c3n1)CN(C)CC2.
What is the InChIKey of 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is CDIHYEWHQQMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-16-8-21-20(23-19(16)26(24-12)15-10-28-11-15)22-17-6-14-9-25(2)5-4-13(14)7-18(17)27-3/h6-8,15H,4-5,9-11H2,1-3H3,(H,21,22,23).
What are the key properties of 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine?
6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 380.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 165171905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).