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

C26H29N7O — CID 167606651

IUPAC5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1
InChIInChI=1S/C26H29N7O/c1-16-9-20(10-21-14-32(4)8-7-23(16)21)24-13-29-25(27)26(31-24)34-22-12-30-33(15-22)18(3)19-6-5-17(2)28-11-19/h5-6,9-13,15,18H,7-8,14H2,1-4H3,(H2,27,29)
InChIKeyIYCAYXRFDPZYMC-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.32
Rot. Bonds5

About 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

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 (PubChem CID 167606651) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID167606651
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1
InChIInChI=1S/C26H29N7O/c1-16-9-20(10-21-14-32(4)8-7-23(16)21)24-13-29-25(27)26(31-24)34-22-12-30-33(15-22)18(3)19-6-5-17(2)28-11-19/h5-6,9-13,15,18H,7-8,14H2,1-4H3,(H2,27,29)
InChIKeyIYCAYXRFDPZYMC-UHFFFAOYSA-N
XLogP4.32
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(1-Isopropyltriazol-4-yl)-5-[3-methyl-4-(morpholinomethyl)phenyl]pyridin-2-amine
CID 77106368
4-(2,5-dimethylphenyl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585620
US10729680, Example 34
CID 138637608
US20240317714, Example A64
CID 166982860
US20240317714, Example A48
CID 166982907
US20240317714, Example A51
CID 166983008
(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
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
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 156101547
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(trifluoromethyl)pyrazol-4-yl]oxypyrazin-2-amine
CID 156101554
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 156101831

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1.
What is the InChIKey of 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?
The InChIKey is IYCAYXRFDPZYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-16-9-20(10-21-14-32(4)8-7-23(16)21)24-13-29-25(27)26(31-24)34-22-12-30-33(15-22)18(3)19-6-5-17(2)28-11-19/h5-6,9-13,15,18H,7-8,14H2,1-4H3,(H2,27,29).
What are the key properties of 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?
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 has a molecular weight of 455.57 g/mol, XLogP of 4.32, 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-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).