5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline

C17H18N4O — CID 100626262

IUPAC5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1CCN(Cc1c[nH]c3nccnc13)C2
InChIInChI=1S/C17H18N4O/c1-22-15-4-2-3-12-10-21(8-5-14(12)15)11-13-9-20-17-16(13)18-6-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,19,20)
InChIKeyDEWDRMQPWBFNPS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.52
Rot. Bonds3

About 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline

5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 100626262) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID100626262
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1CCN(Cc1c[nH]c3nccnc13)C2
InChIInChI=1S/C17H18N4O/c1-22-15-4-2-3-12-10-21(8-5-14(12)15)11-13-9-20-17-16(13)18-6-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,19,20)
InChIKeyDEWDRMQPWBFNPS-UHFFFAOYSA-N
XLogP2.52
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 75519706
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
5-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 23209004
3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
CID 171676178
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145042994
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851
5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
CID 19595197
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 166718904
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
N-[4-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11640884
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 100626262) is 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline is COc1cccc2c1CCN(Cc1c[nH]c3nccnc13)C2.
What is the InChIKey of 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is DEWDRMQPWBFNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-15-4-2-3-12-10-21(8-5-14(12)15)11-13-9-20-17-16(13)18-6-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,19,20).
What are the key properties of 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline?
5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 294.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 100626262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).