5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine

C99H104ClN25O2S4 — CID 158642531

IUPAC5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Cc1cccc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Nc1ncc(-c2cc(-c3ccc(Cl)cc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2cc(-c3ccccc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2sccc2-c2ccccc2)n2cc(C3CCCNC3)nc12
InChIInChI=1S/C21H20ClN5S.2C21H21N5S.C18H21N5O2S.C18H21N5/c22-16-5-3-13(4-6-16)15-8-19(28-12-15)18-10-25-20(23)21-26-17(11-27(18)21)14-2-1-7-24-9-14;22-20-21-25-17(15-7-4-9-23-11-15)13-26(21)18(12-24-20)19-16(8-10-27-19)14-5-2-1-3-6-14;22-20-21-25-17(15-7-4-8-23-10-15)12-26(21)18(11-24-20)19-9-16(13-27-19)14-5-2-1-3-6-14;1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11;1-12-4-2-5-13(8-12)16-10-21-17(19)18-22-15(11-23(16)18)14-6-3-7-20-9-14/h3-6,8,10-12,14,24H,1-2,7,9H2,(H2,23,25);1-3,5-6,8,10,12-13,15,23H,4,7,9,11H2,(H2,22,24);1-3,5-6,9,11-13,15,23H,4,7-8,10H2,(H2,22,24);6,8-11,20H,2-5,7H2,1H3,(H2,19,21);2,4-5,8,10-11,14,20H,3,6-7,9H2,1H3,(H2,19,21)/t14-;;15-;11-;14-/m0.000/s1
InChIKeyIAOKAPQPIGSAMG-PJWHJMNISA-N
MW1839.81 g/mol
LogP18.61
Rot. Bonds15

About 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine

5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158642531) has the molecular formula C99H104ClN25O2S4 and a molecular weight of 1839.81 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID158642531
Molecular FormulaC99H104ClN25O2S4
Molecular Weight1839.81 g/mol
Exact Mass1837.74
IUPAC Name5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Cc1cccc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Nc1ncc(-c2cc(-c3ccc(Cl)cc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2cc(-c3ccccc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2sccc2-c2ccccc2)n2cc(C3CCCNC3)nc12
InChIInChI=1S/C21H20ClN5S.2C21H21N5S.C18H21N5O2S.C18H21N5/c22-16-5-3-13(4-6-16)15-8-19(28-12-15)18-10-25-20(23)21-26-17(11-27(18)21)14-2-1-7-24-9-14;22-20-21-25-17(15-7-4-9-23-11-15)13-26(21)18(12-24-20)19-16(8-10-27-19)14-5-2-1-3-6-14;22-20-21-25-17(15-7-4-8-23-10-15)12-26(21)18(11-24-20)19-9-16(13-27-19)14-5-2-1-3-6-14;1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11;1-12-4-2-5-13(8-12)16-10-21-17(19)18-22-15(11-23(16)18)14-6-3-7-20-9-14/h3-6,8,10-12,14,24H,1-2,7,9H2,(H2,23,25);1-3,5-6,8,10,12-13,15,23H,4,7,9,11H2,(H2,22,24);1-3,5-6,9,11-13,15,23H,4,7-8,10H2,(H2,22,24);6,8-11,20H,2-5,7H2,1H3,(H2,19,21);2,4-5,8,10-11,14,20H,3,6-7,9H2,1H3,(H2,19,21)/t14-;;15-;11-;14-/m0.000/s1
InChIKeyIAOKAPQPIGSAMG-PJWHJMNISA-N
XLogP18.61
TPSA367.50 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001839.81
LogP ≤ 518.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

2-(4-chlorophenyl)-8-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;methane;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
CID 157328725
5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
CID 161753659
Methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[3-(aminomethyl)pyrrol-1-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-chlorophenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-fluorophenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyrrol-1-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 161776466

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine (CID 158642531) is 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine is CCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Cc1cccc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.Nc1ncc(-c2cc(-c3ccc(Cl)cc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2cc(-c3ccccc3)cs2)n2cc([C@H]3CCCNC3)nc12.Nc1ncc(-c2sccc2-c2ccccc2)n2cc(C3CCCNC3)nc12.
What is the InChIKey of 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IAOKAPQPIGSAMG-PJWHJMNISA-N. The full InChI is InChI=1S/C21H20ClN5S.2C21H21N5S.C18H21N5O2S.C18H21N5/c22-16-5-3-13(4-6-16)15-8-19(28-12-15)18-10-25-20(23)21-26-17(11-27(18)21)14-2-1-7-24-9-14;22-20-21-25-17(15-7-4-9-23-11-15)13-26(21)18(12-24-20)19-16(8-10-27-19)14-5-2-1-3-6-14;22-20-21-25-17(15-7-4-8-23-10-15)12-26(21)18(11-24-20)19-9-16(13-27-19)14-5-2-1-3-6-14;1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11;1-12-4-2-5-13(8-12)16-10-21-17(19)18-22-15(11-23(16)18)14-6-3-7-20-9-14/h3-6,8,10-12,14,24H,1-2,7,9H2,(H2,23,25);1-3,5-6,8,10,12-13,15,23H,4,7,9,11H2,(H2,22,24);1-3,5-6,9,11-13,15,23H,4,7-8,10H2,(H2,22,24);6,8-11,20H,2-5,7H2,1H3,(H2,19,21);2,4-5,8,10-11,14,20H,3,6-7,9H2,1H3,(H2,19,21)/t14-;;15-;11-;14-/m0.000/s1.
What are the key properties of 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine?
5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1839.81 g/mol, XLogP of 18.61, 15 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158642531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).