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

C31H30FN7O3 — CID 66953437

IUPAC7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)C1=O
InChIInChI=1S/C31H30FN7O3/c1-36(2)24-16-25(38-14-13-37(3)31(38)41)29-35-26(28-33-17-23(34-28)15-20-9-11-22(32)12-10-20)27(30(40)39(29)18-24)42-19-21-7-5-4-6-8-21/h4-12,16-18H,13-15,19H2,1-3H3,(H,33,34)
InChIKeyQKSWCEJOABJPIU-UHFFFAOYSA-N
MW567.63 g/mol
LogP4.33
Rot. Bonds8

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

7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 66953437) has the molecular formula C31H30FN7O3 and a molecular weight of 567.63 g/mol. Its IUPAC name is 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID66953437
Molecular FormulaC31H30FN7O3
Molecular Weight567.63 g/mol
Exact Mass567.24
IUPAC Name7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)C1=O
InChIInChI=1S/C31H30FN7O3/c1-36(2)24-16-25(38-14-13-37(3)31(38)41)29-35-26(28-33-17-23(34-28)15-20-9-11-22(32)12-10-20)27(30(40)39(29)18-24)42-19-21-7-5-4-6-8-21/h4-12,16-18H,13-15,19H2,1-3H3,(H,33,34)
InChIKeyQKSWCEJOABJPIU-UHFFFAOYSA-N
XLogP4.33
TPSA99.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.63
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 66953437) is 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)C1=O.
What is the InChIKey of 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QKSWCEJOABJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN7O3/c1-36(2)24-16-25(38-14-13-37(3)31(38)41)29-35-26(28-33-17-23(34-28)15-20-9-11-22(32)12-10-20)27(30(40)39(29)18-24)42-19-21-7-5-4-6-8-21/h4-12,16-18H,13-15,19H2,1-3H3,(H,33,34).
What are the key properties of 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 567.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66953437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).