4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

C27H28N6O2 — CID 53021518

IUPAC4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C27H28N6O2/c1-30(2)22-11-6-10-21(18-22)26(34)32-16-14-31(15-17-32)25-27(35)33(19-20-8-4-3-5-9-20)24-23(29-25)12-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3
InChIKeyYOBBVFUEHKYTKY-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.87
Rot. Bonds5

About 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 53021518) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID53021518
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C27H28N6O2/c1-30(2)22-11-6-10-21(18-22)26(34)32-16-14-31(15-17-32)25-27(35)33(19-20-8-4-3-5-9-20)24-23(29-25)12-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3
InChIKeyYOBBVFUEHKYTKY-UHFFFAOYSA-N
XLogP2.87
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (CID 53021518) is 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is CN(C)c1cccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1.
What is the InChIKey of 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is YOBBVFUEHKYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-30(2)22-11-6-10-21(18-22)26(34)32-16-14-31(15-17-32)25-27(35)33(19-20-8-4-3-5-9-20)24-23(29-25)12-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 468.56 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53021518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).