2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

C114H142N18O5S4 — CID 161086162

IUPAC2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cccc5c4CCC5)nc(N4CCCCC4)nc23)CC1.CC1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)C1.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc2c1CN1CCN(C(=O)CO)CC1.OCCN1CCN(Cc2csc3c(-c4cccc5c4C=CC5)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C30H38N4OS.C29H38N4OS.C28H33N5O2S.C27H33N5OS/c1-20-16-21-8-7-9-24(25(21)17-20)27-28-26(31-29(32-27)34-12-5-4-6-13-34)22(19-36-28)18-33-14-10-23(11-15-33)30(2,3)35;1-29(2,34)22-12-16-32(17-13-22)18-21-19-35-27-25(21)30-28(33-14-4-3-5-15-33)31-26(27)24-11-7-9-20-8-6-10-23(20)24;1-19-23(17-31-13-15-32(16-14-31)24(35)18-34)26-27(36-19)25(22-10-6-8-20-7-5-9-21(20)22)29-28(30-26)33-11-3-2-4-12-33;33-17-16-30-12-14-31(15-13-30)18-21-19-34-26-24(21)28-27(32-10-2-1-3-11-32)29-25(26)23-9-5-7-20-6-4-8-22(20)23/h7-9,17,19,23,35H,4-6,10-16,18H2,1-3H3;7,9,11,19,22,34H,3-6,8,10,12-18H2,1-2H3;5-6,8-10,34H,2-4,7,11-18H2,1H3;4-5,7-9,19,33H,1-3,6,10-18H2
InChIKeyUGNQPMOQTABPMX-UHFFFAOYSA-N
MW1972.78 g/mol
LogP20.00
Rot. Bonds21

About 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 161086162) has the molecular formula C114H142N18O5S4 and a molecular weight of 1972.78 g/mol. Its IUPAC name is 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID161086162
Molecular FormulaC114H142N18O5S4
Molecular Weight1972.78 g/mol
Exact Mass1971.03
IUPAC Name2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cccc5c4CCC5)nc(N4CCCCC4)nc23)CC1.CC1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)C1.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc2c1CN1CCN(C(=O)CO)CC1.OCCN1CCN(Cc2csc3c(-c4cccc5c4C=CC5)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C30H38N4OS.C29H38N4OS.C28H33N5O2S.C27H33N5OS/c1-20-16-21-8-7-9-24(25(21)17-20)27-28-26(31-29(32-27)34-12-5-4-6-13-34)22(19-36-28)18-33-14-10-23(11-15-33)30(2,3)35;1-29(2,34)22-12-16-32(17-13-22)18-21-19-35-27-25(21)30-28(33-14-4-3-5-15-33)31-26(27)24-11-7-9-20-8-6-10-23(20)24;1-19-23(17-31-13-15-32(16-14-31)24(35)18-34)26-27(36-19)25(22-10-6-8-20-7-5-9-21(20)22)29-28(30-26)33-11-3-2-4-12-33;33-17-16-30-12-14-31(15-13-30)18-21-19-34-26-24(21)28-27(32-10-2-1-3-11-32)29-25(26)23-9-5-7-20-6-4-8-22(20)23/h7-9,17,19,23,35H,4-6,10-16,18H2,1-3H3;7,9,11,19,22,34H,3-6,8,10,12-18H2,1-2H3;5-6,8-10,34H,2-4,7,11-18H2,1H3;4-5,7-9,19,33H,1-3,6,10-18H2
InChIKeyUGNQPMOQTABPMX-UHFFFAOYSA-N
XLogP20.00
TPSA233.51 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.78
LogP ≤ 520.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol 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 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 161086162) is 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2csc3c(-c4cccc5c4CCC5)nc(N4CCCCC4)nc23)CC1.CC1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)C1.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc2c1CN1CCN(C(=O)CO)CC1.OCCN1CCN(Cc2csc3c(-c4cccc5c4C=CC5)nc(N4CCCCC4)nc23)CC1.
What is the InChIKey of 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is UGNQPMOQTABPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4OS.C29H38N4OS.C28H33N5O2S.C27H33N5OS/c1-20-16-21-8-7-9-24(25(21)17-20)27-28-26(31-29(32-27)34-12-5-4-6-13-34)22(19-36-28)18-33-14-10-23(11-15-33)30(2,3)35;1-29(2,34)22-12-16-32(17-13-22)18-21-19-35-27-25(21)30-28(33-14-4-3-5-15-33)31-26(27)24-11-7-9-20-8-6-10-23(20)24;1-19-23(17-31-13-15-32(16-14-31)24(35)18-34)26-27(36-19)25(22-10-6-8-20-7-5-9-21(20)22)29-28(30-26)33-11-3-2-4-12-33;33-17-16-30-12-14-31(15-13-30)18-21-19-34-26-24(21)28-27(32-10-2-1-3-11-32)29-25(26)23-9-5-7-20-6-4-8-22(20)23/h7-9,17,19,23,35H,4-6,10-16,18H2,1-3H3;7,9,11,19,22,34H,3-6,8,10,12-18H2,1-2H3;5-6,8-10,34H,2-4,7,11-18H2,1H3;4-5,7-9,19,33H,1-3,6,10-18H2.
What are the key properties of 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 1972.78 g/mol, XLogP of 20.00, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 161086162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).