2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C33H31ClFN7O4 — CID 66953086

IUPAC2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)[nH]4)nc23)C1=O
InChIInChI=1S/C33H31ClFN7O4/c1-39-9-10-41(33(39)44)27-17-24(40-11-13-45-14-12-40)19-42-31(27)38-28(29(32(42)43)46-20-21-5-3-2-4-6-21)30-36-18-23(37-30)15-22-7-8-26(35)25(34)16-22/h2-8,16-19H,9-15,20H2,1H3,(H,36,37)
InChIKeyDVDZFRVJVXVSRE-UHFFFAOYSA-N
MW644.11 g/mol
LogP4.76
Rot. Bonds8

About 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 66953086) has the molecular formula C33H31ClFN7O4 and a molecular weight of 644.11 g/mol. Its IUPAC name is 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID66953086
Molecular FormulaC33H31ClFN7O4
Molecular Weight644.11 g/mol
Exact Mass643.21
IUPAC Name2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)[nH]4)nc23)C1=O
InChIInChI=1S/C33H31ClFN7O4/c1-39-9-10-41(33(39)44)27-17-24(40-11-13-45-14-12-40)19-42-31(27)38-28(29(32(42)43)46-20-21-5-3-2-4-6-21)30-36-18-23(37-30)15-22-7-8-26(35)25(34)16-22/h2-8,16-19H,9-15,20H2,1H3,(H,36,37)
InChIKeyDVDZFRVJVXVSRE-UHFFFAOYSA-N
XLogP4.76
TPSA108.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.11
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 66953086) is 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(Cl)c5)[nH]4)nc23)C1=O.
What is the InChIKey of 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DVDZFRVJVXVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClFN7O4/c1-39-9-10-41(33(39)44)27-17-24(40-11-13-45-14-12-40)19-42-31(27)38-28(29(32(42)43)46-20-21-5-3-2-4-6-21)30-36-18-23(37-30)15-22-7-8-26(35)25(34)16-22/h2-8,16-19H,9-15,20H2,1H3,(H,36,37).
What are the key properties of 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 644.11 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chloro-4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66953086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).