6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

C24H27N5O2 — CID 42641498

IUPAC6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESCN1CCC(Oc2cnc(-c3cccc(Cn4nc(C5CC5)ccc4=O)c3)nc2)CC1
InChIInChI=1S/C24H27N5O2/c1-28-11-9-20(10-12-28)31-21-14-25-24(26-15-21)19-4-2-3-17(13-19)16-29-23(30)8-7-22(27-29)18-5-6-18/h2-4,7-8,13-15,18,20H,5-6,9-12,16H2,1H3
InChIKeyNMDNZUFREPCCET-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.10
Rot. Bonds6

About 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (PubChem CID 42641498) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
PubChem CID42641498
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESCN1CCC(Oc2cnc(-c3cccc(Cn4nc(C5CC5)ccc4=O)c3)nc2)CC1
InChIInChI=1S/C24H27N5O2/c1-28-11-9-20(10-12-28)31-21-14-25-24(26-15-21)19-4-2-3-17(13-19)16-29-23(30)8-7-22(27-29)18-5-6-18/h2-4,7-8,13-15,18,20H,5-6,9-12,16H2,1H3
InChIKeyNMDNZUFREPCCET-UHFFFAOYSA-N
XLogP3.10
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (CID 42641498) is 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is CN1CCC(Oc2cnc(-c3cccc(Cn4nc(C5CC5)ccc4=O)c3)nc2)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The InChIKey is NMDNZUFREPCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28-11-9-20(10-12-28)31-21-14-25-24(26-15-21)19-4-2-3-17(13-19)16-29-23(30)8-7-22(27-29)18-5-6-18/h2-4,7-8,13-15,18,20H,5-6,9-12,16H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one has a molecular weight of 417.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 42641498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).