3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C23H28N6O — CID 165154523

IUPAC3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(-n3cc(OC4CCCC4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H28N6O/c1-15-9-16(10-17-13-28(2)8-7-20(15)17)21-12-25-22(24)23(27-21)29-14-19(11-26-29)30-18-5-3-4-6-18/h9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25)
InChIKeyVBWBZTSBKUHNEZ-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.53
Rot. Bonds4

About 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 165154523) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID165154523
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(-n3cc(OC4CCCC4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H28N6O/c1-15-9-16(10-17-13-28(2)8-7-20(15)17)21-12-25-22(24)23(27-21)29-14-19(11-26-29)30-18-5-3-4-6-18/h9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25)
InChIKeyVBWBZTSBKUHNEZ-UHFFFAOYSA-N
XLogP3.53
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carbonitrile;3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 167709828
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 163216435
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167606651
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine
CID 165154495
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
CID 167641479
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)pyrazole-4-carboxamide;bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide);1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 167533057
1-[3-amino-6-(2,5-dimethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazole-4-sulfonamide
CID 175891814
4-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-1,3-dihydrobenzimidazol-2-one
CID 165154390
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-ethyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-ethylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167630802
3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 165154489
3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
CID 167584734
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 165154523) is 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(-n3cc(OC4CCCC4)cn3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is VBWBZTSBKUHNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-9-16(10-17-13-28(2)8-7-20(15)17)21-12-25-22(24)23(27-21)29-14-19(11-26-29)30-18-5-3-4-6-18/h9-12,14,18H,3-8,13H2,1-2H3,(H2,24,25).
What are the key properties of 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 404.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 165154523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).