5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one

C14H14N6O — CID 154770924

IUPAC5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(C2CCN(c3ccc4nccnc4n3)C2)[nH][nH]1
InChIInChI=1S/C14H14N6O/c21-13-7-11(18-19-13)9-3-6-20(8-9)12-2-1-10-14(17-12)16-5-4-15-10/h1-2,4-5,7,9H,3,6,8H2,(H2,18,19,21)
InChIKeyIDMYRJODGOSKDH-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.04
Rot. Bonds2

About 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one

5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one (PubChem CID 154770924) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one
PubChem CID154770924
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(C2CCN(c3ccc4nccnc4n3)C2)[nH][nH]1
InChIInChI=1S/C14H14N6O/c21-13-7-11(18-19-13)9-3-6-20(8-9)12-2-1-10-14(17-12)16-5-4-15-10/h1-2,4-5,7,9H,3,6,8H2,(H2,18,19,21)
InChIKeyIDMYRJODGOSKDH-UHFFFAOYSA-N
XLogP1.04
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one (CID 154770924) is 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one is O=c1cc(C2CCN(c3ccc4nccnc4n3)C2)[nH][nH]1.
What is the InChIKey of 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one?
The InChIKey is IDMYRJODGOSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-13-7-11(18-19-13)9-3-6-20(8-9)12-2-1-10-14(17-12)16-5-4-15-10/h1-2,4-5,7,9H,3,6,8H2,(H2,18,19,21).
What are the key properties of 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one?
5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one has a molecular weight of 282.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 154770924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).