N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C24H24Cl2N6O5 — CID 66668473

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 66668473) has the molecular formula C24H24Cl2N6O5 and a molecular weight of 547.40 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 66668473
• Molecular Formula: C24H24Cl2N6O5
• Molecular Weight: 547.40 g/mol
• Exact Mass: 546.12
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)C1=O
• InChI: InChI=1S/C24H24Cl2N6O5/c1-29-4-5-31(24(29)36)18-11-15(30-6-8-37-9-7-30)13-32-21(18)28-19(20(33)23(32)35)22(34)27-12-14-2-3-16(25)17(26)10-14/h2-3,10-11,13,33H,4-9,12H2,1H3,(H,27,34)
• InChIKey: OGBQHLSWMKODHE-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 119.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.40
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 66668473) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)C1=O.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is OGBQHLSWMKODHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O5/c1-29-4-5-31(24(29)36)18-11-15(30-6-8-37-9-7-30)13-32-21(18)28-19(20(33)23(32)35)22(34)27-12-14-2-3-16(25)17(26)10-14/h2-3,10-11,13,33H,4-9,12H2,1H3,(H,27,34).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 547.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66668473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).