N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

C20H24N8 — CID 56889734

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C20H24N8/c1-14-12-15(2)28(25-14)11-5-10-26(3)19-17-13-22-27(4)20(17)24-18(23-19)16-6-8-21-9-7-16/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyKGAHUXUXZWIYPV-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56889734) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56889734
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CCCN(C)c2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C20H24N8/c1-14-12-15(2)28(25-14)11-5-10-26(3)19-17-13-22-27(4)20(17)24-18(23-19)16-6-8-21-9-7-16/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyKGAHUXUXZWIYPV-UHFFFAOYSA-N
XLogP2.77
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56889734) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1cc(C)n(CCCN(C)c2nc(-c3ccncc3)nc3c2cnn3C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KGAHUXUXZWIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-14-12-15(2)28(25-14)11-5-10-26(3)19-17-13-22-27(4)20(17)24-18(23-19)16-6-8-21-9-7-16/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 376.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56889734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).