2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C15H12N6O — CID 163249894

IUPAC2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccnnc4)n3)cc21
InChIInChI=1S/C15H12N6O/c22-15-10-7-13(20-11(10)2-5-17-15)12-3-4-16-14(21-12)9-1-6-18-19-8-9/h1,3-4,6-8,20H,2,5H2,(H,17,22)
InChIKeyPBMULZVYCZWQIN-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163249894) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163249894
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccnnc4)n3)cc21
InChIInChI=1S/C15H12N6O/c22-15-10-7-13(20-11(10)2-5-17-15)12-3-4-16-14(21-12)9-1-6-18-19-8-9/h1,3-4,6-8,20H,2,5H2,(H,17,22)
InChIKeyPBMULZVYCZWQIN-UHFFFAOYSA-N
XLogP1.21
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163249894) is 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4ccnnc4)n3)cc21.
What is the InChIKey of 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PBMULZVYCZWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-15-10-7-13(20-11(10)2-5-17-15)12-3-4-16-14(21-12)9-1-6-18-19-8-9/h1,3-4,6-8,20H,2,5H2,(H,17,22).
What are the key properties of 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 292.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridazin-4-ylpyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163249894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).