N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine

C79H76N32OS11 — CID 159665779

IUPACN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccco3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccn[nH]3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccsc3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8S2.C17H17N7S2.C15H13N5OS2.C15H13N5S3.C14H13N7S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13;1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10;1-9-6-12(23-19-9)17-14-15-16-7-10(11-4-3-5-21-11)20(15)8-13(18-14)22-2;1-9-5-12(23-19-9)17-14-15-16-6-11(10-3-4-22-8-10)20(15)7-13(18-14)21-2;1-8-5-11(23-20-8)17-13-14-15-6-10(9-3-4-16-19-9)21(14)7-12(18-13)22-2/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23);5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22);2*3-8H,1-2H3,(H,17,18);3-7H,1-2H3,(H,16,19)(H,17,18)
InChIKeyMTJNIDWRUZTDEX-UHFFFAOYSA-N
MW1842.44 g/mol
LogP19.58
Rot. Bonds22

About N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine

N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine (PubChem CID 159665779) has the molecular formula C79H76N32OS11 and a molecular weight of 1842.44 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine
PubChem CID159665779
Molecular FormulaC79H76N32OS11
Molecular Weight1842.44 g/mol
Exact Mass1840.38
IUPAC NameN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccco3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccn[nH]3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccsc3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8S2.C17H17N7S2.C15H13N5OS2.C15H13N5S3.C14H13N7S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13;1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10;1-9-6-12(23-19-9)17-14-15-16-7-10(11-4-3-5-21-11)20(15)8-13(18-14)22-2;1-9-5-12(23-19-9)17-14-15-16-6-11(10-3-4-22-8-10)20(15)7-13(18-14)21-2;1-8-5-11(23-20-8)17-13-14-15-6-10(9-3-4-16-19-9)21(14)7-12(18-13)22-2/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23);5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22);2*3-8H,1-2H3,(H,17,18);3-7H,1-2H3,(H,16,19)(H,17,18)
InChIKeyMTJNIDWRUZTDEX-UHFFFAOYSA-N
XLogP19.58
TPSA375.90 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds22
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.44
LogP ≤ 519.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine (CID 159665779) is N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine is CSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccco3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccn[nH]3)cnc2c(Nc2cc(C)ns2)n1.CSc1cn2c(-c3ccsc3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine?
The InChIKey is MTJNIDWRUZTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S2.C17H17N7S2.C15H13N5OS2.C15H13N5S3.C14H13N7S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13;1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10;1-9-6-12(23-19-9)17-14-15-16-7-10(11-4-3-5-21-11)20(15)8-13(18-14)22-2;1-9-5-12(23-19-9)17-14-15-16-6-11(10-3-4-22-8-10)20(15)7-13(18-14)21-2;1-8-5-11(23-20-8)17-13-14-15-6-10(9-3-4-16-19-9)21(14)7-12(18-13)22-2/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23);5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22);2*3-8H,1-2H3,(H,17,18);3-7H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine?
N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine has a molecular weight of 1842.44 g/mol, XLogP of 19.58, 22 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(furan-2-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-(6-methylsulfanyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 159665779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).