2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile

C22H17ClN6S — CID 24661869

IUPAC2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc34)CC2)c1
InChIInChI=1S/C22H17ClN6S/c23-17-3-1-16(2-4-17)19-12-18-21(30-19)22(27-14-26-18)29-9-7-28(8-10-29)20-11-15(13-24)5-6-25-20/h1-6,11-12,14H,7-10H2
InChIKeyFBAXEZZEPQAOEN-UHFFFAOYSA-N
MW432.94 g/mol
LogP4.60
Rot. Bonds3

About 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 24661869) has the molecular formula C22H17ClN6S and a molecular weight of 432.94 g/mol. Its IUPAC name is 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID24661869
Molecular FormulaC22H17ClN6S
Molecular Weight432.94 g/mol
Exact Mass432.09
IUPAC Name2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc34)CC2)c1
InChIInChI=1S/C22H17ClN6S/c23-17-3-1-16(2-4-17)19-12-18-21(30-19)22(27-14-26-18)29-9-7-28(8-10-29)20-11-15(13-24)5-6-25-20/h1-6,11-12,14H,7-10H2
InChIKeyFBAXEZZEPQAOEN-UHFFFAOYSA-N
XLogP4.60
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.94
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile (CID 24661869) is 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc34)CC2)c1.
What is the InChIKey of 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is FBAXEZZEPQAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6S/c23-17-3-1-16(2-4-17)19-12-18-21(30-19)22(27-14-26-18)29-9-7-28(8-10-29)20-11-15(13-24)5-6-25-20/h1-6,11-12,14H,7-10H2.
What are the key properties of 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 432.94 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 24661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).