6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one

C19H15FN6O2 — CID 166126779

IUPAC6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2c(=O)n(-c3ncccn3)ncc2cn1-c1ccnc(OC2CC2)c1F
InChIInChI=1S/C19H15FN6O2/c1-11-15-12(9-24-26(18(15)27)19-22-6-2-7-23-19)10-25(11)14-5-8-21-17(16(14)20)28-13-3-4-13/h2,5-10,13H,3-4H2,1H3
InChIKeyAHIJOWLGQXGMDN-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.35
Rot. Bonds4

About 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one

6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 166126779) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID166126779
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2c(=O)n(-c3ncccn3)ncc2cn1-c1ccnc(OC2CC2)c1F
InChIInChI=1S/C19H15FN6O2/c1-11-15-12(9-24-26(18(15)27)19-22-6-2-7-23-19)10-25(11)14-5-8-21-17(16(14)20)28-13-3-4-13/h2,5-10,13H,3-4H2,1H3
InChIKeyAHIJOWLGQXGMDN-UHFFFAOYSA-N
XLogP2.35
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one (CID 166126779) is 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2c(=O)n(-c3ncccn3)ncc2cn1-c1ccnc(OC2CC2)c1F.
What is the InChIKey of 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is AHIJOWLGQXGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-11-15-12(9-24-26(18(15)27)19-22-6-2-7-23-19)10-25(11)14-5-8-21-17(16(14)20)28-13-3-4-13/h2,5-10,13H,3-4H2,1H3.
What are the key properties of 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 378.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 166126779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).