N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine

C24H24Cl2N6O2S2 — CID 174200262

IUPACN-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(-c3cccnc3)csc12
InChIInChI=1S/C24H24Cl2N6O2S2/c1-16(30-24-23-22(28-15-29-24)19(14-35-23)17-3-2-6-27-12-17)13-31-7-9-32(10-8-31)36(33,34)18-4-5-20(25)21(26)11-18/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,28,29,30)
InChIKeyXMTUZCAITQJDCX-UHFFFAOYSA-N
MW563.54 g/mol
LogP4.87
Rot. Bonds7

About N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine

N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 174200262) has the molecular formula C24H24Cl2N6O2S2 and a molecular weight of 563.54 g/mol. Its IUPAC name is N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID174200262
Molecular FormulaC24H24Cl2N6O2S2
Molecular Weight563.54 g/mol
Exact Mass562.08
IUPAC NameN-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(-c3cccnc3)csc12
InChIInChI=1S/C24H24Cl2N6O2S2/c1-16(30-24-23-22(28-15-29-24)19(14-35-23)17-3-2-6-27-12-17)13-31-7-9-32(10-8-31)36(33,34)18-4-5-20(25)21(26)11-18/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,28,29,30)
InChIKeyXMTUZCAITQJDCX-UHFFFAOYSA-N
XLogP4.87
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine 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 N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine (CID 174200262) is N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine is CC(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ncnc2c(-c3cccnc3)csc12.
What is the InChIKey of N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XMTUZCAITQJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O2S2/c1-16(30-24-23-22(28-15-29-24)19(14-35-23)17-3-2-6-27-12-17)13-31-7-9-32(10-8-31)36(33,34)18-4-5-20(25)21(26)11-18/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,28,29,30).
What are the key properties of N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 563.54 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 174200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).