4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C23H22ClN5S — CID 91965383

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccc(Cl)cc4)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C23H22ClN5S/c1-2-19-14-20-22(26-21(27-23(20)30-19)16-4-3-9-25-15-16)29-12-10-28(11-13-29)18-7-5-17(24)6-8-18/h3-9,14-15H,2,10-13H2,1H3
InChIKeyTUQYSLVRGPGGGS-UHFFFAOYSA-N
MW435.98 g/mol
LogP5.30
Rot. Bonds4

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 91965383) has the molecular formula C23H22ClN5S and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID91965383
Molecular FormulaC23H22ClN5S
Molecular Weight435.98 g/mol
Exact Mass435.13
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccc(Cl)cc4)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C23H22ClN5S/c1-2-19-14-20-22(26-21(27-23(20)30-19)16-4-3-9-25-15-16)29-12-10-28(11-13-29)18-7-5-17(24)6-8-18/h3-9,14-15H,2,10-13H2,1H3
InChIKeyTUQYSLVRGPGGGS-UHFFFAOYSA-N
XLogP5.30
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965386
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965374
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965594
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 91965383) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ccc(Cl)cc4)CC3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is TUQYSLVRGPGGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S/c1-2-19-14-20-22(26-21(27-23(20)30-19)16-4-3-9-25-15-16)29-12-10-28(11-13-29)18-7-5-17(24)6-8-18/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 435.98 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).