N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C24H18N8 — CID 108778770

IUPACN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3c2cnn3-c2ccccc2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H18N8/c1-16-13-22(32(30-16)21-12-11-17-7-5-6-10-20(17)28-21)29-23-19-14-27-31(24(19)26-15-25-23)18-8-3-2-4-9-18/h2-15H,1H3,(H,25,26,29)
InChIKeyNBMTYFUFYLHEMF-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.60
Rot. Bonds4

About N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 108778770) has the molecular formula C24H18N8 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID108778770
Molecular FormulaC24H18N8
Molecular Weight418.46 g/mol
Exact Mass418.17
IUPAC NameN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3c2cnn3-c2ccccc2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C24H18N8/c1-16-13-22(32(30-16)21-12-11-17-7-5-6-10-20(17)28-21)29-23-19-14-27-31(24(19)26-15-25-23)18-8-3-2-4-9-18/h2-15H,1H3,(H,25,26,29)
InChIKeyNBMTYFUFYLHEMF-UHFFFAOYSA-N
XLogP4.60
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 108778770) is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3c2cnn3-c2ccccc2)n(-c2ccc3ccccc3n2)n1.
What is the InChIKey of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NBMTYFUFYLHEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8/c1-16-13-22(32(30-16)21-12-11-17-7-5-6-10-20(17)28-21)29-23-19-14-27-31(24(19)26-15-25-23)18-8-3-2-4-9-18/h2-15H,1H3,(H,25,26,29).
What are the key properties of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 108778770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).