2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide

C24H27N5O2 — CID 70975817

IUPAC2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nn(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)c(=O)c3ccccc23)cn1
InChIInChI=1S/C24H27N5O2/c1-28(2)21-10-9-17(14-25-21)23-19-5-3-4-6-20(19)24(31)29(27-23)26-22(30)13-18-12-15-7-8-16(18)11-15/h3-6,9-10,14-16,18H,7-8,11-13H2,1-2H3,(H,26,30)/t15-,16+,18-/m1/s1
InChIKeyRDDKTLNFSNZLMS-SOLBZPMBSA-N
MW417.51 g/mol
LogP3.42
Rot. Bonds5

About 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide (PubChem CID 70975817) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide
PubChem CID70975817
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nn(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)c(=O)c3ccccc23)cn1
InChIInChI=1S/C24H27N5O2/c1-28(2)21-10-9-17(14-25-21)23-19-5-3-4-6-20(19)24(31)29(27-23)26-22(30)13-18-12-15-7-8-16(18)11-15/h3-6,9-10,14-16,18H,7-8,11-13H2,1-2H3,(H,26,30)/t15-,16+,18-/m1/s1
InChIKeyRDDKTLNFSNZLMS-SOLBZPMBSA-N
XLogP3.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide (CID 70975817) is 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide is CN(C)c1ccc(-c2nn(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)c(=O)c3ccccc23)cn1.
What is the InChIKey of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide?
The InChIKey is RDDKTLNFSNZLMS-SOLBZPMBSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(2)21-10-9-17(14-25-21)23-19-5-3-4-6-20(19)24(31)29(27-23)26-22(30)13-18-12-15-7-8-16(18)11-15/h3-6,9-10,14-16,18H,7-8,11-13H2,1-2H3,(H,26,30)/t15-,16+,18-/m1/s1.
What are the key properties of 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide?
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 70975817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).