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

C13H19N5O — CID 82666180

IUPAC4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine
SMILESCOc1cnc2[nH]cc(C3CCN(C)CC3N)c2n1
InChIInChI=1S/C13H19N5O/c1-18-4-3-8(10(14)7-18)9-5-15-13-12(9)17-11(19-2)6-16-13/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyVCBURHVXOFFGKY-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.71
Rot. Bonds2

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

4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine (PubChem CID 82666180) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine
PubChem CID82666180
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine
SMILESCOc1cnc2[nH]cc(C3CCN(C)CC3N)c2n1
InChIInChI=1S/C13H19N5O/c1-18-4-3-8(10(14)7-18)9-5-15-13-12(9)17-11(19-2)6-16-13/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyVCBURHVXOFFGKY-UHFFFAOYSA-N
XLogP0.71
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine?
The IUPAC name of 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine (CID 82666180) is 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine is COc1cnc2[nH]cc(C3CCN(C)CC3N)c2n1.
What is the InChIKey of 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine?
The InChIKey is VCBURHVXOFFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-4-3-8(10(14)7-18)9-5-15-13-12(9)17-11(19-2)6-16-13/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine?
4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine has a molecular weight of 261.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 82666180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).