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

C23H22FN5S — CID 91965386

IUPAC6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4F)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C23H22FN5S/c1-2-17-14-18-22(26-21(27-23(18)30-17)16-6-5-9-25-15-16)29-12-10-28(11-13-29)20-8-4-3-7-19(20)24/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVHSDBFMKWUBOMP-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.78
Rot. Bonds4

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

6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 91965386) has the molecular formula C23H22FN5S and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID91965386
Molecular FormulaC23H22FN5S
Molecular Weight419.53 g/mol
Exact Mass419.16
IUPAC Name6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4F)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C23H22FN5S/c1-2-17-14-18-22(26-21(27-23(18)30-17)16-6-5-9-25-15-16)29-12-10-28(11-13-29)20-8-4-3-7-19(20)24/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVHSDBFMKWUBOMP-UHFFFAOYSA-N
XLogP4.78
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965374
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375
4-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 42909662
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965594
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
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
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 91965386) is 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ccccc4F)CC3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is VHSDBFMKWUBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5S/c1-2-17-14-18-22(26-21(27-23(18)30-17)16-6-5-9-25-15-16)29-12-10-28(11-13-29)20-8-4-3-7-19(20)24/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 419.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).