4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine

C24H29N7O2S2 — CID 118346941

IUPAC4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc5[nH]ncc5c4)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C24H29N7O2S2/c1-35(32,33)31-11-9-29(10-12-31)15-19-16-34-23-21(17-5-6-20-18(13-17)14-25-28-20)26-24(27-22(19)23)30-7-3-2-4-8-30/h5-6,13-14,16H,2-4,7-12,15H2,1H3,(H,25,28)
InChIKeyIXFBOIAHAQWAFS-UHFFFAOYSA-N
MW511.68 g/mol
LogP3.30
Rot. Bonds5

About 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine

4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 118346941) has the molecular formula C24H29N7O2S2 and a molecular weight of 511.68 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID118346941
Molecular FormulaC24H29N7O2S2
Molecular Weight511.68 g/mol
Exact Mass511.18
IUPAC Name4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc5[nH]ncc5c4)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C24H29N7O2S2/c1-35(32,33)31-11-9-29(10-12-31)15-19-16-34-23-21(17-5-6-20-18(13-17)14-25-28-20)26-24(27-22(19)23)30-7-3-2-4-8-30/h5-6,13-14,16H,2-4,7-12,15H2,1H3,(H,25,28)
InChIKeyIXFBOIAHAQWAFS-UHFFFAOYSA-N
XLogP3.30
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.68
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine 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 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 118346941) is 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine is CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc5[nH]ncc5c4)nc(N4CCCCC4)nc23)CC1.
What is the InChIKey of 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is IXFBOIAHAQWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S2/c1-35(32,33)31-11-9-29(10-12-31)15-19-16-34-23-21(17-5-6-20-18(13-17)14-25-28-20)26-24(27-22(19)23)30-7-3-2-4-8-30/h5-6,13-14,16H,2-4,7-12,15H2,1H3,(H,25,28).
What are the key properties of 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 511.68 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 118346941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).