1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H16N6 — CID 24905200

IUPAC1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyHGALDAPNHYJZAJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.20
Rot. Bonds2

About 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905200) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905200
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyHGALDAPNHYJZAJ-UHFFFAOYSA-N
XLogP3.20
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905200) is 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc21.
What is the InChIKey of 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HGALDAPNHYJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).