N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C23H18N6O2 — CID 119066424

IUPACN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2cnccn12
InChIInChI=1S/C23H18N6O2/c30-21(26-13-17-12-25-20-14-24-10-11-28(17)20)15-29-23(31)19-9-5-4-8-18(19)22(27-29)16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,26,30)
InChIKeyDBACGRANAVHLFQ-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.42
Rot. Bonds5

About N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 119066424) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID119066424
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2cnccn12
InChIInChI=1S/C23H18N6O2/c30-21(26-13-17-12-25-20-14-24-10-11-28(17)20)15-29-23(31)19-9-5-4-8-18(19)22(27-29)16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,26,30)
InChIKeyDBACGRANAVHLFQ-UHFFFAOYSA-N
XLogP2.42
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 119066424) is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2cnccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is DBACGRANAVHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-21(26-13-17-12-25-20-14-24-10-11-28(17)20)15-29-23(31)19-9-5-4-8-18(19)22(27-29)16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,26,30).
What are the key properties of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 410.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 119066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).