1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C21H20N6 — CID 95726742

IUPAC1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N[C@@H]3CCCc4ccccc43)nc(-c3ccccn3)nc21
InChIInChI=1S/C21H20N6/c1-27-21-16(13-23-27)19(25-20(26-21)18-10-4-5-12-22-18)24-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyUILXDGXVUAEOBB-QGZVFWFLSA-N
MW356.43 g/mol
LogP3.91
Rot. Bonds3

About 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95726742) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95726742
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N[C@@H]3CCCc4ccccc43)nc(-c3ccccn3)nc21
InChIInChI=1S/C21H20N6/c1-27-21-16(13-23-27)19(25-20(26-21)18-10-4-5-12-22-18)24-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyUILXDGXVUAEOBB-QGZVFWFLSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95726742) is 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N[C@@H]3CCCc4ccccc43)nc(-c3ccccn3)nc21.
What is the InChIKey of 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UILXDGXVUAEOBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N6/c1-27-21-16(13-23-27)19(25-20(26-21)18-10-4-5-12-22-18)24-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,24,25,26)/t17-/m1/s1.
What are the key properties of 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95726742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).