N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

C24H26FN5O4 — CID 53010124

IUPACN-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(-c4cc(F)ccc4OC)ncn3)CC2)c(OC)c1
InChIInChI=1S/C24H26FN5O4/c1-32-17-5-6-19(22(13-17)34-3)28-24(31)30-10-8-29(9-11-30)23-14-20(26-15-27-23)18-12-16(25)4-7-21(18)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,28,31)
InChIKeyPUMLFFBEAGZGBX-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.66
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 53010124) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID53010124
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(-c4cc(F)ccc4OC)ncn3)CC2)c(OC)c1
InChIInChI=1S/C24H26FN5O4/c1-32-17-5-6-19(22(13-17)34-3)28-24(31)30-10-8-29(9-11-30)23-14-20(26-15-27-23)18-12-16(25)4-7-21(18)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,28,31)
InChIKeyPUMLFFBEAGZGBX-UHFFFAOYSA-N
XLogP3.66
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide 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 N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 53010124) is N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(-c4cc(F)ccc4OC)ncn3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is PUMLFFBEAGZGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-32-17-5-6-19(22(13-17)34-3)28-24(31)30-10-8-29(9-11-30)23-14-20(26-15-27-23)18-12-16(25)4-7-21(18)33-2/h4-7,12-15H,8-11H2,1-3H3,(H,28,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53010124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).