3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H18N6 — CID 24905219

IUPAC3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1
InChIInChI=1S/C18H18N6/c1-10(2)24-18-15(17(19)20-9-21-18)16(23-24)13-7-6-12-5-4-11(3)22-14(12)8-13/h4-10H,1-3H3,(H2,19,20,21)
InChIKeyKFBBXKBRSICFJT-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.51
Rot. Bonds2

About 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905219) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905219
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1
InChIInChI=1S/C18H18N6/c1-10(2)24-18-15(17(19)20-9-21-18)16(23-24)13-7-6-12-5-4-11(3)22-14(12)8-13/h4-10H,1-3H3,(H2,19,20,21)
InChIKeyKFBBXKBRSICFJT-UHFFFAOYSA-N
XLogP3.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905219) is 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1.
What is the InChIKey of 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KFBBXKBRSICFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-10(2)24-18-15(17(19)20-9-21-18)16(23-24)13-7-6-12-5-4-11(3)22-14(12)8-13/h4-10H,1-3H3,(H2,19,20,21).
What are the key properties of 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-7-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).