5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid

C37H42N10O6S2 — CID 159404280

IUPAC5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3c(-c4cc(C(=O)O)cs4)cnc(N)c3n2)C1.Nc1ncc(-c2cc(C(=O)O)cs2)n2cc(C3CCCNC3)nc12
InChIInChI=1S/C21H25N5O4S.C16H17N5O2S/c1-21(2,3)30-20(29)25-6-4-5-12(9-25)14-10-26-15(8-23-17(22)18(26)24-14)16-7-13(11-31-16)19(27)28;17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,23)(H,27,28);4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23)
InChIKeyLNTCKRKCNJLJLZ-UHFFFAOYSA-N
MW786.94 g/mol
LogP6.06
Rot. Bonds6

About 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid

5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid (PubChem CID 159404280) has the molecular formula C37H42N10O6S2 and a molecular weight of 786.94 g/mol. Its IUPAC name is 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid
PubChem CID159404280
Molecular FormulaC37H42N10O6S2
Molecular Weight786.94 g/mol
Exact Mass786.27
IUPAC Name5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3c(-c4cc(C(=O)O)cs4)cnc(N)c3n2)C1.Nc1ncc(-c2cc(C(=O)O)cs2)n2cc(C3CCCNC3)nc12
InChIInChI=1S/C21H25N5O4S.C16H17N5O2S/c1-21(2,3)30-20(29)25-6-4-5-12(9-25)14-10-26-15(8-23-17(22)18(26)24-14)16-7-13(11-31-16)19(27)28;17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,23)(H,27,28);4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23)
InChIKeyLNTCKRKCNJLJLZ-UHFFFAOYSA-N
XLogP6.06
TPSA228.59 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 56.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid with MolForge

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Related Compounds

5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
CID 24864165
ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate
CID 24865061
Ethyl 5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylate
CID 57752725
5-(8-Amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid
CID 57752728
5-[8-Amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
CID 57752731
Tert-butyl 3-[8-amino-5-(4-ethoxycarbonylthiophen-2-yl)imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate
CID 57752742
4-[8-[4-(1-Propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid
CID 123449174
5-[8-[4-(4-Methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
CID 123912466
8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 157258002
[3-[6-(2-Aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;5-methylthiophene-2-carboxylic acid;5-(2-morpholin-4-yl-9-pyrrolidin-3-ylpurin-6-yl)pyrimidin-2-amine
CID 157877129
(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
CID 158278012
bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine
CID 159235428

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid (CID 159404280) is 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(c2cn3c(-c4cc(C(=O)O)cs4)cnc(N)c3n2)C1.Nc1ncc(-c2cc(C(=O)O)cs2)n2cc(C3CCCNC3)nc12.
What is the InChIKey of 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid?
The InChIKey is LNTCKRKCNJLJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S.C16H17N5O2S/c1-21(2,3)30-20(29)25-6-4-5-12(9-25)14-10-26-15(8-23-17(22)18(26)24-14)16-7-13(11-31-16)19(27)28;17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,23)(H,27,28);4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23).
What are the key properties of 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid?
5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid has a molecular weight of 786.94 g/mol, XLogP of 6.06, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid;5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 159404280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).