(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

C23H23ClN4O3 — CID 42473474

IUPAC(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Oc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C23H23ClN4O3/c1-16-25-21(15-22(26-16)31-18-6-4-3-5-7-18)27-10-12-28(13-11-27)23(29)19-14-17(24)8-9-20(19)30-2/h3-9,14-15H,10-13H2,1-2H3
InChIKeyPKCRSYYWBSXIMO-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.20
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42473474) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42473474
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Oc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C23H23ClN4O3/c1-16-25-21(15-22(26-16)31-18-6-4-3-5-7-18)27-10-12-28(13-11-27)23(29)19-14-17(24)8-9-20(19)30-2/h3-9,14-15H,10-13H2,1-2H3
InChIKeyPKCRSYYWBSXIMO-UHFFFAOYSA-N
XLogP4.20
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone 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 (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (CID 42473474) is (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Oc3ccccc3)nc(C)n2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PKCRSYYWBSXIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-16-25-21(15-22(26-16)31-18-6-4-3-5-7-18)27-10-12-28(13-11-27)23(29)19-14-17(24)8-9-20(19)30-2/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 438.92 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42473474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).