2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one

C24H25N3O2 — CID 138488359

IUPAC2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCOc1cccc(C2CCc3c(cnn(-c4ccc(C5CC5)cn4)c3=O)C2)c1C
InChIInChI=1S/C24H25N3O2/c1-15-20(4-3-5-22(15)29-2)17-8-10-21-19(12-17)14-26-27(24(21)28)23-11-9-18(13-25-23)16-6-7-16/h3-5,9,11,13-14,16-17H,6-8,10,12H2,1-2H3
InChIKeyNXTQFRHGCRHSFP-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.09
Rot. Bonds4

About 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one

2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 138488359) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID138488359
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCOc1cccc(C2CCc3c(cnn(-c4ccc(C5CC5)cn4)c3=O)C2)c1C
InChIInChI=1S/C24H25N3O2/c1-15-20(4-3-5-22(15)29-2)17-8-10-21-19(12-17)14-26-27(24(21)28)23-11-9-18(13-25-23)16-6-7-16/h3-5,9,11,13-14,16-17H,6-8,10,12H2,1-2H3
InChIKeyNXTQFRHGCRHSFP-UHFFFAOYSA-N
XLogP4.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one (CID 138488359) is 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one is COc1cccc(C2CCc3c(cnn(-c4ccc(C5CC5)cn4)c3=O)C2)c1C.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is NXTQFRHGCRHSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-20(4-3-5-22(15)29-2)17-8-10-21-19(12-17)14-26-27(24(21)28)23-11-9-18(13-25-23)16-6-7-16/h3-5,9,11,13-14,16-17H,6-8,10,12H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one?
2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 387.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-6-(3-methoxy-2-methylphenyl)-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 138488359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).