N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C20H24N6 — CID 166183273

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCN3CCc4ccccc4C3)n2)n1
InChIInChI=1S/C20H24N6/c1-15-11-16(2)26(24-15)20-13-21-12-19(23-20)22-8-10-25-9-7-17-5-3-4-6-18(17)14-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23)
InChIKeyDDTGBRDZHATBNO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 166183273) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID166183273
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCN3CCc4ccccc4C3)n2)n1
InChIInChI=1S/C20H24N6/c1-15-11-16(2)26(24-15)20-13-21-12-19(23-20)22-8-10-25-9-7-17-5-3-4-6-18(17)14-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23)
InChIKeyDDTGBRDZHATBNO-UHFFFAOYSA-N
XLogP2.75
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
CID 80823221
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
CID 133296904
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284460
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 166183273) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCCN3CCc4ccccc4C3)n2)n1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is DDTGBRDZHATBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-11-16(2)26(24-15)20-13-21-12-19(23-20)22-8-10-25-9-7-17-5-3-4-6-18(17)14-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 166183273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).