N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine

C81H73N37OS3 — CID 162023968

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCSc1nnc(Nc2nccn3c(-c4cnn(C)c4)cnc23)s1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n(C)n1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)no1.Cn1cc(-c2cnc3c(Nc4nc(-c5ccccc5)cs4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nccc5ccccc45)nccn23)cn1
InChIInChI=1S/C19H15N7S.C19H15N7.C15H16N8.C14H14N8S2.C14H13N7O/c1-25-11-14(9-22-25)16-10-21-18-17(20-7-8-26(16)18)24-19-23-15(12-27-19)13-5-3-2-4-6-13;1-25-12-14(10-23-25)16-11-22-19-18(21-8-9-26(16)19)24-17-15-5-3-2-4-13(15)6-7-20-17;1-10-6-13(22(3)20-10)19-14-15-17-8-12(23(15)5-4-16-14)11-7-18-21(2)9-11;1-3-23-14-20-19-13(24-14)18-11-12-16-7-10(22(12)5-4-15-11)9-6-17-21(2)8-9;1-9-5-12(19-22-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-12H,1H3,(H,20,23,24);2-12H,1H3,(H,20,21,24);4-9H,1-3H3,(H,16,19);4-8H,3H2,1-2H3,(H,15,18,19);3-8H,1-2H3,(H,15,18,19)
InChIKeyYVCUCSXCQMWGHV-UHFFFAOYSA-N
MW1676.93 g/mol
LogP14.34
Rot. Bonds18

About N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine

N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 162023968) has the molecular formula C81H73N37OS3 and a molecular weight of 1676.93 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID162023968
Molecular FormulaC81H73N37OS3
Molecular Weight1676.93 g/mol
Exact Mass1675.60
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCCSc1nnc(Nc2nccn3c(-c4cnn(C)c4)cnc23)s1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n(C)n1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)no1.Cn1cc(-c2cnc3c(Nc4nc(-c5ccccc5)cs4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nccc5ccccc45)nccn23)cn1
InChIInChI=1S/C19H15N7S.C19H15N7.C15H16N8.C14H14N8S2.C14H13N7O/c1-25-11-14(9-22-25)16-10-21-18-17(20-7-8-26(16)18)24-19-23-15(12-27-19)13-5-3-2-4-6-13;1-25-12-14(10-23-25)16-11-22-19-18(21-8-9-26(16)19)24-17-15-5-3-2-4-13(15)6-7-20-17;1-10-6-13(22(3)20-10)19-14-15-17-8-12(23(15)5-4-16-14)11-7-18-21(2)9-11;1-3-23-14-20-19-13(24-14)18-11-12-16-7-10(22(12)5-4-15-11)9-6-17-21(2)8-9;1-9-5-12(19-22-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-12H,1H3,(H,20,23,24);2-12H,1H3,(H,20,21,24);4-9H,1-3H3,(H,16,19);4-8H,3H2,1-2H3,(H,15,18,19);3-8H,1-2H3,(H,15,18,19)
InChIKeyYVCUCSXCQMWGHV-UHFFFAOYSA-N
XLogP14.34
TPSA395.61 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.93
LogP ≤ 514.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine (CID 162023968) is N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine is CCSc1nnc(Nc2nccn3c(-c4cnn(C)c4)cnc23)s1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n(C)n1.Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)no1.Cn1cc(-c2cnc3c(Nc4nc(-c5ccccc5)cs4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nccc5ccccc45)nccn23)cn1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YVCUCSXCQMWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7S.C19H15N7.C15H16N8.C14H14N8S2.C14H13N7O/c1-25-11-14(9-22-25)16-10-21-18-17(20-7-8-26(16)18)24-19-23-15(12-27-19)13-5-3-2-4-6-13;1-25-12-14(10-23-25)16-11-22-19-18(21-8-9-26(16)19)24-17-15-5-3-2-4-13(15)6-7-20-17;1-10-6-13(22(3)20-10)19-14-15-17-8-12(23(15)5-4-16-14)11-7-18-21(2)9-11;1-3-23-14-20-19-13(24-14)18-11-12-16-7-10(22(12)5-4-15-11)9-6-17-21(2)8-9;1-9-5-12(19-22-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-12H,1H3,(H,20,23,24);2-12H,1H3,(H,20,21,24);4-9H,1-3H3,(H,16,19);4-8H,3H2,1-2H3,(H,15,18,19);3-8H,1-2H3,(H,15,18,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine?
N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 1676.93 g/mol, XLogP of 14.34, 18 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 162023968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).