N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide

C25H23Cl2N5O3 — CID 24831822

IUPACN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyVQHFOIQFTUFCRK-UHFFFAOYSA-N
MW512.40 g/mol
LogP4.52
Rot. Bonds8

About N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide

N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide (PubChem CID 24831822) has the molecular formula C25H23Cl2N5O3 and a molecular weight of 512.40 g/mol. Its IUPAC name is N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide
PubChem CID24831822
Molecular FormulaC25H23Cl2N5O3
Molecular Weight512.40 g/mol
Exact Mass511.12
IUPAC NameN-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyVQHFOIQFTUFCRK-UHFFFAOYSA-N
XLogP4.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide (CID 24831822) is N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide is COc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The InChIKey is VQHFOIQFTUFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide?
N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide has a molecular weight of 512.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxyphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 24831822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).