[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C25H23ClN4OS — CID 21062703

IUPAC[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)ncnc2s1
InChIInChI=1S/C25H23ClN4OS/c1-2-21-15-22-23(27-16-28-24(22)32-21)29-11-13-30(14-12-29)25(31)19-5-3-17(4-6-19)18-7-9-20(26)10-8-18/h3-10,15-16H,2,11-14H2,1H3
InChIKeyWNELQYHYXWQOMW-UHFFFAOYSA-N
MW463.01 g/mol
LogP5.54
Rot. Bonds4

About [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 21062703) has the molecular formula C25H23ClN4OS and a molecular weight of 463.01 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID21062703
Molecular FormulaC25H23ClN4OS
Molecular Weight463.01 g/mol
Exact Mass462.13
IUPAC Name[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)ncnc2s1
InChIInChI=1S/C25H23ClN4OS/c1-2-21-15-22-23(27-16-28-24(22)32-21)29-11-13-30(14-12-29)25(31)19-5-3-17(4-6-19)18-7-9-20(26)10-8-18/h3-10,15-16H,2,11-14H2,1H3
InChIKeyWNELQYHYXWQOMW-UHFFFAOYSA-N
XLogP5.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.01
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 21062700
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 39073106
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631
(E)-3-(2,4-dichlorophenyl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 39073185
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 21062625
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-[5-[(3E)-hexa-1,3,5-trien-3-yl]thiophen-2-yl]methanone
CID 142220498
N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 21062804
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
[4-[2-[(2R)-2,3-dihydroxypropoxy]-6-ethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 69379504

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 21062703) is [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)ncnc2s1.
What is the InChIKey of [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WNELQYHYXWQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4OS/c1-2-21-15-22-23(27-16-28-24(22)32-21)29-11-13-30(14-12-29)25(31)19-5-3-17(4-6-19)18-7-9-20(26)10-8-18/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 463.01 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 21062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).