4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one

C16H17N5O2 — CID 168926168

IUPAC4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one
SMILESCN1CCC(Oc2cnc3[nH]cc(-c4cc[nH]c(=O)c4)c3n2)C1
InChIInChI=1S/C16H17N5O2/c1-21-5-3-11(9-21)23-14-8-19-16-15(20-14)12(7-18-16)10-2-4-17-13(22)6-10/h2,4,6-8,11H,3,5,9H2,1H3,(H,17,22)(H,18,19)
InChIKeyIKTCMUMTECQTBY-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.40
Rot. Bonds3

About 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one

4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one (PubChem CID 168926168) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one
PubChem CID168926168
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one
SMILESCN1CCC(Oc2cnc3[nH]cc(-c4cc[nH]c(=O)c4)c3n2)C1
InChIInChI=1S/C16H17N5O2/c1-21-5-3-11(9-21)23-14-8-19-16-15(20-14)12(7-18-16)10-2-4-17-13(22)6-10/h2,4,6-8,11H,3,5,9H2,1H3,(H,17,22)(H,18,19)
InChIKeyIKTCMUMTECQTBY-UHFFFAOYSA-N
XLogP1.40
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one (CID 168926168) is 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one is CN1CCC(Oc2cnc3[nH]cc(-c4cc[nH]c(=O)c4)c3n2)C1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one?
The InChIKey is IKTCMUMTECQTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-21-5-3-11(9-21)23-14-8-19-16-15(20-14)12(7-18-16)10-2-4-17-13(22)6-10/h2,4,6-8,11H,3,5,9H2,1H3,(H,17,22)(H,18,19).
What are the key properties of 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one?
4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one has a molecular weight of 311.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-3-yl)oxy-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 168926168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).