4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine

C18H22N6O — CID 153102974

IUPAC4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(n2)CN=C3OCc2cccnc2)CC1
InChIInChI=1S/C18H22N6O/c1-18(19)4-7-24(8-5-18)15-11-21-16-14(23-15)10-22-17(16)25-12-13-3-2-6-20-9-13/h2-3,6,9,11H,4-5,7-8,10,12,19H2,1H3
InChIKeyVRKYJXBYAVAEPE-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine

4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine (PubChem CID 153102974) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
PubChem CID153102974
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(n2)CN=C3OCc2cccnc2)CC1
InChIInChI=1S/C18H22N6O/c1-18(19)4-7-24(8-5-18)15-11-21-16-14(23-15)10-22-17(16)25-12-13-3-2-6-20-9-13/h2-3,6,9,11H,4-5,7-8,10,12,19H2,1H3
InChIKeyVRKYJXBYAVAEPE-UHFFFAOYSA-N
XLogP1.67
TPSA89.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine with MolForge

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Related Compounds

1-[7-[[3-chloro-2-(1,3-thiazol-2-yl)-4-pyridinyl]oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 158062876
4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
CID 159895367
1-[3-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]sulfanyl]piperidin-1-yl]ethanone
CID 160932482
[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739670
1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(2,3-dichlorophenyl)sulfanyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 158142766
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine (CID 153102974) is 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine is CC1(N)CCN(c2cnc3c(n2)CN=C3OCc2cccnc2)CC1.
What is the InChIKey of 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine?
The InChIKey is VRKYJXBYAVAEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-18(19)4-7-24(8-5-18)15-11-21-16-14(23-15)10-22-17(16)25-12-13-3-2-6-20-9-13/h2-3,6,9,11H,4-5,7-8,10,12,19H2,1H3.
What are the key properties of 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine?
4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[7-(pyridin-3-ylmethoxy)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine is sourced from PubChem (CID 153102974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).