ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C47H57N17O2S3 — CID 143465184

IUPACethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESC=C(NC1=NC=CN(C)C1=C)SC.CC.CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C1CCNCC1.Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C22H25N7O2S.C14H13N7S.C9H13N3S.C2H6/c1-3-31-22(30)19-16(14-4-6-23-7-5-14)10-18(32-19)27-20-21-25-12-17(29(21)9-8-24-20)15-11-26-28(2)13-15;1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13;1-7-9(11-8(2)13-4)10-5-6-12(7)3;1-2/h8-14,23H,3-7H2,1-2H3,(H,24,27);3-7H,1-2H3,(H,16,17)(H,18,19);5-6H,1-2H2,3-4H3,(H,10,11);1-2H3
InChIKeyYFCNCEYVKQAVBY-UHFFFAOYSA-N
MW988.29 g/mol
LogP9.28
Rot. Bonds11

About ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 143465184) has the molecular formula C47H57N17O2S3 and a molecular weight of 988.29 g/mol. Its IUPAC name is ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Nameethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID143465184
Molecular FormulaC47H57N17O2S3
Molecular Weight988.29 g/mol
Exact Mass987.40
IUPAC Nameethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESC=C(NC1=NC=CN(C)C1=C)SC.CC.CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C1CCNCC1.Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C22H25N7O2S.C14H13N7S.C9H13N3S.C2H6/c1-3-31-22(30)19-16(14-4-6-23-7-5-14)10-18(32-19)27-20-21-25-12-17(29(21)9-8-24-20)15-11-26-28(2)13-15;1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13;1-7-9(11-8(2)13-4)10-5-6-12(7)3;1-2/h8-14,23H,3-7H2,1-2H3,(H,24,27);3-7H,1-2H3,(H,16,17)(H,18,19);5-6H,1-2H2,3-4H3,(H,10,11);1-2H3
InChIKeyYFCNCEYVKQAVBY-UHFFFAOYSA-N
XLogP9.28
TPSA209.79 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.29
LogP ≤ 59.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

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Related Compounds

Ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
CID 58364596
Ethyl 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
CID 58364799
Ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
CID 58873850
Ethyl 5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
CID 58873860
Ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate
CID 58873888
Ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-propan-2-ylthiophene-2-carboxylate
CID 58873951
tert-butyl 5-[8-[(5-ethoxycarbonyl-4-propan-2-ylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58873953
Ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
CID 58874015
Ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
CID 58874017
Ethyl 3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxylate
CID 58874035
Ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxylate
CID 58874090
[5-[[3-[1-[2-methoxyethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 68336369

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 143465184) is ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is C=C(NC1=NC=CN(C)C1=C)SC.CC.CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C1CCNCC1.Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is YFCNCEYVKQAVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S.C14H13N7S.C9H13N3S.C2H6/c1-3-31-22(30)19-16(14-4-6-23-7-5-14)10-18(32-19)27-20-21-25-12-17(29(21)9-8-24-20)15-11-26-28(2)13-15;1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13;1-7-9(11-8(2)13-4)10-5-6-12(7)3;1-2/h8-14,23H,3-7H2,1-2H3,(H,24,27);3-7H,1-2H3,(H,16,17)(H,18,19);5-6H,1-2H2,3-4H3,(H,10,11);1-2H3.
What are the key properties of ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 988.29 g/mol, XLogP of 9.28, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-piperidin-4-ylthiophene-2-carboxylate;4-methyl-3-methylidene-N-(1-methylsulfanylethenyl)pyrazin-2-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143465184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).