5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine

C37H36N10S2 — CID 143594947

IUPAC5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(-c2cnc(Nc3cc#cc(-c4csc(-c5cnc(N)c6nc([C@H]7CCCNC7)cn56)c4)c3)c3nc([C@H]4CCCNC4)cn23)s1
InChIInChI=1S/C37H36N10S2/c1-22-9-10-32(49-22)30-18-42-35(37-45-29(20-47(30)37)25-7-4-12-40-16-25)43-27-8-2-5-23(13-27)26-14-33(48-21-26)31-17-41-34(38)36-44-28(19-46(31)36)24-6-3-11-39-15-24/h8-10,13-14,17-21,24-25,39-40H,3-4,6-7,11-12,15-16H2,1H3,(H2,38,41)(H,42,43)/t24-,25-/m0/s1
InChIKeyWDEGLYDYCMGWAD-DQEYMECFSA-N
MW684.90 g/mol
LogP7.06
Rot. Bonds7

About 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine

5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143594947) has the molecular formula C37H36N10S2 and a molecular weight of 684.90 g/mol. Its IUPAC name is 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143594947
Molecular FormulaC37H36N10S2
Molecular Weight684.90 g/mol
Exact Mass684.26
IUPAC Name5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(-c2cnc(Nc3cc#cc(-c4csc(-c5cnc(N)c6nc([C@H]7CCCNC7)cn56)c4)c3)c3nc([C@H]4CCCNC4)cn23)s1
InChIInChI=1S/C37H36N10S2/c1-22-9-10-32(49-22)30-18-42-35(37-45-29(20-47(30)37)25-7-4-12-40-16-25)43-27-8-2-5-23(13-27)26-14-33(48-21-26)31-17-41-34(38)36-44-28(19-46(31)36)24-6-3-11-39-15-24/h8-10,13-14,17-21,24-25,39-40H,3-4,6-7,11-12,15-16H2,1H3,(H2,38,41)(H,42,43)/t24-,25-/m0/s1
InChIKeyWDEGLYDYCMGWAD-DQEYMECFSA-N
XLogP7.06
TPSA122.49 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.90
LogP ≤ 57.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine 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

2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604
7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448
N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-((6-(thiophen-2-yl)pyridin-3-yl)methyl)-9H-purine-2,6-diamine
CID 71817796
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-thiophen-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 71817797
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 146212989
3-(6-Benzo[b]thiophen-3-yl-2-phenyl-imidazo[1,2-a]pyrazin-8-yl)-propylamine
CID 44377555
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]purine-2,6-diamine;hydrochloride
CID 45483712
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-2-yl-3-pyridinyl)methyl]purine-2,6-diamine;hydrochloride
CID 45483765
7-methyl-N-(4-phenylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137637324
6-methyl-N-(3-phenylpropyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137645546
N-benzyl-6-phenyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137651579

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine (CID 143594947) is 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine is Cc1ccc(-c2cnc(Nc3cc#cc(-c4csc(-c5cnc(N)c6nc([C@H]7CCCNC7)cn56)c4)c3)c3nc([C@H]4CCCNC4)cn23)s1.
What is the InChIKey of 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WDEGLYDYCMGWAD-DQEYMECFSA-N. The full InChI is InChI=1S/C37H36N10S2/c1-22-9-10-32(49-22)30-18-42-35(37-45-29(20-47(30)37)25-7-4-12-40-16-25)43-27-8-2-5-23(13-27)26-14-33(48-21-26)31-17-41-34(38)36-44-28(19-46(31)36)24-6-3-11-39-15-24/h8-10,13-14,17-21,24-25,39-40H,3-4,6-7,11-12,15-16H2,1H3,(H2,38,41)(H,42,43)/t24-,25-/m0/s1.
What are the key properties of 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 684.90 g/mol, XLogP of 7.06, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[[5-(5-methylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexa-1,3-dien-5-yn-1-yl]thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143594947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).