tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine

C54H81N19O4 — CID 159356383

IUPACtert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine
SMILESC.C.C.CC(C)(C)OC(=O)N1CCCC(c2cn3ccnc(N)c3n2)C1.Cn1cc(Nc2nccn3cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1.Cn1cc(Nc2nccn3cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H27N7O2.C16H23N5O2.C15H19N7.3CH4/c1-20(2,3)29-19(28)27-8-5-6-14(11-27)16-13-26-9-7-21-17(18(26)24-16)23-15-10-22-25(4)12-15;1-16(2,3)23-15(22)21-7-4-5-11(9-21)12-10-20-8-6-18-13(17)14(20)19-12;1-21-9-12(8-18-21)19-14-15-20-13(10-22(15)6-5-17-14)11-3-2-4-16-7-11;;;/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,21,23);6,8,10-11H,4-5,7,9H2,1-3H3,(H2,17,18);5-6,8-11,16H,2-4,7H2,1H3,(H,17,19);3*1H4
InChIKeyLHYXWAAOLGFCBS-UHFFFAOYSA-N
MW1060.37 g/mol
LogP9.33
Rot. Bonds7

About tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine

tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 159356383) has the molecular formula C54H81N19O4 and a molecular weight of 1060.37 g/mol. Its IUPAC name is tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Nametert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID159356383
Molecular FormulaC54H81N19O4
Molecular Weight1060.37 g/mol
Exact Mass1059.67
IUPAC Nametert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine
SMILESC.C.C.CC(C)(C)OC(=O)N1CCCC(c2cn3ccnc(N)c3n2)C1.Cn1cc(Nc2nccn3cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1.Cn1cc(Nc2nccn3cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H27N7O2.C16H23N5O2.C15H19N7.3CH4/c1-20(2,3)29-19(28)27-8-5-6-14(11-27)16-13-26-9-7-21-17(18(26)24-16)23-15-10-22-25(4)12-15;1-16(2,3)23-15(22)21-7-4-5-11(9-21)12-10-20-8-6-18-13(17)14(20)19-12;1-21-9-12(8-18-21)19-14-15-20-13(10-22(15)6-5-17-14)11-3-2-4-16-7-11;;;/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,21,23);6,8,10-11H,4-5,7,9H2,1-3H3,(H2,17,18);5-6,8-11,16H,2-4,7H2,1H3,(H,17,19);3*1H4
InChIKeyLHYXWAAOLGFCBS-UHFFFAOYSA-N
XLogP9.33
TPSA247.40 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.37
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
CID 118456699
tert-butyl 3-[8-[[5-(dimethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
CID 161256757
tert-butyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157052045
tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 67464003
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
tert-butyl (3R)-3-[6-(2,4-difluorophenoxy)-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]piperidine-1-carboxylate;6-(2,4-difluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-8-[(3R)-piperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one;methane;1-methylpyrazol-4-amine;hydrochloride
CID 164993722
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 3-[2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidine-1-carboxylate;methane;2-[4-(phenoxymethyl)phenyl]-5-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 157166783
5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 162158012
tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 157123021
tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
CID 153291320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine (CID 159356383) is tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine is C.C.C.CC(C)(C)OC(=O)N1CCCC(c2cn3ccnc(N)c3n2)C1.Cn1cc(Nc2nccn3cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1.Cn1cc(Nc2nccn3cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is LHYXWAAOLGFCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2.C16H23N5O2.C15H19N7.3CH4/c1-20(2,3)29-19(28)27-8-5-6-14(11-27)16-13-26-9-7-21-17(18(26)24-16)23-15-10-22-25(4)12-15;1-16(2,3)23-15(22)21-7-4-5-11(9-21)12-10-20-8-6-18-13(17)14(20)19-12;1-21-9-12(8-18-21)19-14-15-20-13(10-22(15)6-5-17-14)11-3-2-4-16-7-11;;;/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,21,23);6,8,10-11H,4-5,7,9H2,1-3H3,(H2,17,18);5-6,8-11,16H,2-4,7H2,1H3,(H,17,19);3*1H4.
What are the key properties of tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine?
tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1060.37 g/mol, XLogP of 9.33, 7 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(8-aminoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane;N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 159356383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).