2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C20H18ClFN6O — CID 121112875

IUPAC2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN6O/c21-17-11-14(22)4-5-16(17)19(29)26-15-12-24-20(25-13-15)28-9-7-27(8-10-28)18-3-1-2-6-23-18/h1-6,11-13H,7-10H2,(H,26,29)
InChIKeyHMOKIPPFXWNKNN-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112875) has the molecular formula C20H18ClFN6O and a molecular weight of 412.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112875
Molecular FormulaC20H18ClFN6O
Molecular Weight412.86 g/mol
Exact Mass412.12
IUPAC Name2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN6O/c21-17-11-14(22)4-5-16(17)19(29)26-15-12-24-20(25-13-15)28-9-7-27(8-10-28)18-3-1-2-6-23-18/h1-6,11-13H,7-10H2,(H,26,29)
InChIKeyHMOKIPPFXWNKNN-UHFFFAOYSA-N
XLogP3.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 121112875) is 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is HMOKIPPFXWNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6O/c21-17-11-14(22)4-5-16(17)19(29)26-15-12-24-20(25-13-15)28-9-7-27(8-10-28)18-3-1-2-6-23-18/h1-6,11-13H,7-10H2,(H,26,29).
What are the key properties of 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 412.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).