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

C26H26F3N7O — CID 165154568

IUPAC5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccnc(C(F)(F)F)c4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H26F3N7O/c1-15-8-18(9-19-13-35(3)7-5-21(15)19)22-12-32-24(30)25(34-22)37-20-11-33-36(14-20)16(2)17-4-6-31-23(10-17)26(27,28)29/h4,6,8-12,14,16H,5,7,13H2,1-3H3,(H2,30,32)
InChIKeyZUUPLAGRGYGZEA-UHFFFAOYSA-N
MW509.54 g/mol
LogP5.03
Rot. Bonds5

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

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 165154568) has the molecular formula C26H26F3N7O and a molecular weight of 509.54 g/mol. Its IUPAC name is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID165154568
Molecular FormulaC26H26F3N7O
Molecular Weight509.54 g/mol
Exact Mass509.22
IUPAC Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccnc(C(F)(F)F)c4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H26F3N7O/c1-15-8-18(9-19-13-35(3)7-5-21(15)19)22-12-32-24(30)25(34-22)37-20-11-33-36(14-20)16(2)17-4-6-31-23(10-17)26(27,28)29/h4,6,8-12,14,16H,5,7,13H2,1-3H3,(H2,30,32)
InChIKeyZUUPLAGRGYGZEA-UHFFFAOYSA-N
XLogP5.03
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine with MolForge

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Related Compounds

8-[[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 165400899
US20240317714, Example A64
CID 166982860
US20240317714, Example A25
CID 166982869
US20240317714, Example A48
CID 166982907
US20240317714, Example A51
CID 166983008
US20240317714, Example A33
CID 166983159
(1-Amino-isoquinolin-6-ylmethyl)-{8-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl}-amine
CID 117890309
Tert-butyl 4-[4-[6-amino-5-[7-(trifluoromethyl)isoquinolin-3-yl]pyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67520546
Tert-butyl 4-[4-[6-amino-5-[6-(trifluoromethyl)isoquinolin-3-yl]pyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67521285
[1-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-[(1-aminoisoquinolin-6-yl)methyl]carbamate
CID 129017318
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446695
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446700

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?
The IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 165154568) is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?
The canonical SMILES for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccnc(C(F)(F)F)c4)c3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?
The InChIKey is ZUUPLAGRGYGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O/c1-15-8-18(9-19-13-35(3)7-5-21(15)19)22-12-32-24(30)25(34-22)37-20-11-33-36(14-20)16(2)17-4-6-31-23(10-17)26(27,28)29/h4,6,8-12,14,16H,5,7,13H2,1-3H3,(H2,30,32).
What are the key properties of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 509.54 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 165154568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).