N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C17H16N6 — CID 166325349

IUPACN-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc3cnccc23)c2cn[nH]c2n1
InChIInChI=1S/C17H16N6/c1-10(13-5-3-4-12-8-18-7-6-14(12)13)20-16-15-9-19-23-17(15)22-11(2)21-16/h3-10H,1-2H3,(H2,19,20,21,22,23)/t10-/m1/s1
InChIKeyZTMOKKMZQJRSJY-SNVBAGLBSA-N
MW304.36 g/mol
LogP3.38
Rot. Bonds3

About N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 166325349) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID166325349
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc3cnccc23)c2cn[nH]c2n1
InChIInChI=1S/C17H16N6/c1-10(13-5-3-4-12-8-18-7-6-14(12)13)20-16-15-9-19-23-17(15)22-11(2)21-16/h3-10H,1-2H3,(H2,19,20,21,22,23)/t10-/m1/s1
InChIKeyZTMOKKMZQJRSJY-SNVBAGLBSA-N
XLogP3.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
CID 167652006
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
N-[1-(2,5-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681276
tert-butyl-(1-isoquinolin-5-ylethylamino)-oxidosulfanium
CID 175057276
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 89431847
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 166325349) is N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc3cnccc23)c2cn[nH]c2n1.
What is the InChIKey of N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZTMOKKMZQJRSJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16N6/c1-10(13-5-3-4-12-8-18-7-6-14(12)13)20-16-15-9-19-23-17(15)22-11(2)21-16/h3-10H,1-2H3,(H2,19,20,21,22,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166325349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).