4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine

C14H18N4O — CID 170788964

IUPAC4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine
SMILESCNC1CC=C(c2cnc3[nH]cc(OC)c3n2)CC1
InChIInChI=1S/C14H18N4O/c1-15-10-5-3-9(4-6-10)11-7-16-14-13(18-11)12(19-2)8-17-14/h3,7-8,10,15H,4-6H2,1-2H3,(H,16,17)
InChIKeyGBXTUAVEGDWYMU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.12
Rot. Bonds3

About 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine

4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine (PubChem CID 170788964) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine
PubChem CID170788964
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine
SMILESCNC1CC=C(c2cnc3[nH]cc(OC)c3n2)CC1
InChIInChI=1S/C14H18N4O/c1-15-10-5-3-9(4-6-10)11-7-16-14-13(18-11)12(19-2)8-17-14/h3,7-8,10,15H,4-6H2,1-2H3,(H,16,17)
InChIKeyGBXTUAVEGDWYMU-UHFFFAOYSA-N
XLogP2.12
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine with MolForge

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Related Compounds

7-methoxy-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 56673237
9H-Purine, 2-((4-butylphenyl)amino)-6-methoxy-
CID 149664
N-(5-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548219
3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46903477
1-[4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclohexyl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788722
1-[(2R,4R)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788952
1-[(2S,4S)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788981
1-[(2S,4R)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788512
3-[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]-1-[4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclohexyl]-1-methylurea
CID 170788553
2-cyclohexyl-7-methoxy-5H-pyrrolo[2,3-b]pyrazine;1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788790
1-[1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788959
1-[(2R,4S)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788988

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine?
The IUPAC name of 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine (CID 170788964) is 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine?
The canonical SMILES for 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine is CNC1CC=C(c2cnc3[nH]cc(OC)c3n2)CC1.
What is the InChIKey of 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine?
The InChIKey is GBXTUAVEGDWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-10-5-3-9(4-6-10)11-7-16-14-13(18-11)12(19-2)8-17-14/h3,7-8,10,15H,4-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine?
4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 170788964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).