7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine

C20H19BrN4S — CID 130368044

IUPAC7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(-c3cccc4[nH]ccc34)nc(N3CCCCC3)nc2c1Br
InChIInChI=1S/C20H19BrN4S/c1-12-16(21)18-19(26-12)17(14-6-5-7-15-13(14)8-9-22-15)23-20(24-18)25-10-3-2-4-11-25/h5-9,22H,2-4,10-11H2,1H3
InChIKeyQTEBUSCHBCHNDJ-UHFFFAOYSA-N
MW427.37 g/mol
LogP5.90
Rot. Bonds2

About 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine

7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 130368044) has the molecular formula C20H19BrN4S and a molecular weight of 427.37 g/mol. Its IUPAC name is 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID130368044
Molecular FormulaC20H19BrN4S
Molecular Weight427.37 g/mol
Exact Mass426.05
IUPAC Name7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(-c3cccc4[nH]ccc34)nc(N3CCCCC3)nc2c1Br
InChIInChI=1S/C20H19BrN4S/c1-12-16(21)18-19(26-12)17(14-6-5-7-15-13(14)8-9-22-15)23-20(24-18)25-10-3-2-4-11-25/h5-9,22H,2-4,10-11H2,1H3
InChIKeyQTEBUSCHBCHNDJ-UHFFFAOYSA-N
XLogP5.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.37
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-4-(1H-indol-4-yl)-6-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

Related Compounds

7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 158440783
4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
CID 143785477
4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 25256463
4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
CID 79838993
2-(azepan-1-yl)-4-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 79839553
4-(3-chloro-2-pyridinyl)-1H-indole
CID 56704987
4-(1H-isoindol-4-yl)-6-methyl-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine
CID 157368503
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-[2-[azetidin-2-yl(piperidin-1-yl)methyl]-5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 66937963
6-bromo-4-ethoxy-2-piperidin-1-yl-5H-pyrimido[5,4-b]indole
CID 58118510
4-(2,3-dichlorophenyl)-1H-indole
CID 172647420
5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
CID 123474723

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 130368044) is 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine is Cc1sc2c(-c3cccc4[nH]ccc34)nc(N3CCCCC3)nc2c1Br.
What is the InChIKey of 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is QTEBUSCHBCHNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4S/c1-12-16(21)18-19(26-12)17(14-6-5-7-15-13(14)8-9-22-15)23-20(24-18)25-10-3-2-4-11-25/h5-9,22H,2-4,10-11H2,1H3.
What are the key properties of 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 427.37 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 130368044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).