N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide

C22H24FN5O2 — CID 8891071

IUPACN-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc2nc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc(=O)n2c1
InChIInChI=1S/C22H24FN5O2/c1-16-2-7-20-24-19(12-22(30)28(20)13-16)14-26-8-10-27(11-9-26)15-21(29)25-18-5-3-17(23)4-6-18/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,29)
InChIKeyVFNOKOWTOOPMJB-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.90
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 8891071) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID8891071
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc2nc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc(=O)n2c1
InChIInChI=1S/C22H24FN5O2/c1-16-2-7-20-24-19(12-22(30)28(20)13-16)14-26-8-10-27(11-9-26)15-21(29)25-18-5-3-17(23)4-6-18/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,29)
InChIKeyVFNOKOWTOOPMJB-UHFFFAOYSA-N
XLogP1.90
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide (CID 8891071) is N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc2nc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc(=O)n2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VFNOKOWTOOPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-16-2-7-20-24-19(12-22(30)28(20)13-16)14-26-8-10-27(11-9-26)15-21(29)25-18-5-3-17(23)4-6-18/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8891071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).