5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine

C25H31FN6O — CID 165154540

IUPAC5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCCCC4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H31FN6O/c1-17-10-18(11-19-14-31(2)9-6-21(17)19)22-13-28-23(27)24(30-22)33-20-12-29-32(15-20)16-25(26)7-4-3-5-8-25/h10-13,15H,3-9,14,16H2,1-2H3,(H2,27,28)
InChIKeyIDRUUGAAYTYEFL-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.68
Rot. Bonds5

About 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 165154540) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID165154540
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCCCC4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H31FN6O/c1-17-10-18(11-19-14-31(2)9-6-21(17)19)22-13-28-23(27)24(30-22)33-20-12-29-32(15-20)16-25(26)7-4-3-5-8-25/h10-13,15H,3-9,14,16H2,1-2H3,(H2,27,28)
InChIKeyIDRUUGAAYTYEFL-UHFFFAOYSA-N
XLogP4.68
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-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

Hpk1-IN-32
CID 164889473
5-{3-Fluoro-2''-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]biphenyl-4-yl}pyrazin-2-amine
CID 90329757
[4-[5-(Piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine
CID 164623889
US20240317714, Example A64
CID 166982860
US20240317714, Example A25
CID 166982869
US20240317714, Example A48
CID 166982907
US20240317714, Example A51
CID 166983008
US20240317714, Example A18
CID 166983045
US20240317714, Example A33
CID 166983159
1-[4-[5-(5-Aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 118598339
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypyrazin-2-amine
CID 156101404
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(4-fluorophenyl)azetidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 156101527

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?
The IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 165154540) is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine.
What is the SMILES notation for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?
The canonical SMILES for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCCCC4)c3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?
The InChIKey is IDRUUGAAYTYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O/c1-17-10-18(11-19-14-31(2)9-6-21(17)19)22-13-28-23(27)24(30-22)33-20-12-29-32(15-20)16-25(26)7-4-3-5-8-25/h10-13,15H,3-9,14,16H2,1-2H3,(H2,27,28).
What are the key properties of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 450.56 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 165154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).