4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C76H80N28O3S — CID 159519833

IUPAC4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5)c4)nccn23)cn1
InChIInChI=1S/2C21H23N7O.C20H21N7O.C14H13N7S/c1-27-13-15(11-25-27)19-12-24-21-20(23-8-9-28(19)21)26-16-4-2-6-18(10-16)29-14-17-5-3-7-22-17;1-27-14-15(12-25-27)19-13-24-21-20(23-9-10-28(19)21)26-16-3-2-4-18(11-16)29-17-5-7-22-8-6-17;1-26-13-14(10-24-26)18-12-23-20-19(22-7-8-27(18)20)25-15-3-2-4-16(9-15)28-17-5-6-21-11-17;1-9-8-22-14(18-9)19-12-13-16-6-11(21(13)4-3-15-12)10-5-17-20(2)7-10/h2,4,6,8-13,17,22H,3,5,7,14H2,1H3,(H,23,26);2-4,9-14,17,22H,5-8H2,1H3,(H,23,26);2-4,7-10,12-13,17,21H,5-6,11H2,1H3,(H,22,25);3-8H,1-2H3,(H,15,18,19)
InChIKeyMBQXUNUHCKDBTO-UHFFFAOYSA-N
MW1465.74 g/mol
LogP11.26
Rot. Bonds19

About 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine

4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 159519833) has the molecular formula C76H80N28O3S and a molecular weight of 1465.74 g/mol. Its IUPAC name is 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID159519833
Molecular FormulaC76H80N28O3S
Molecular Weight1465.74 g/mol
Exact Mass1464.67
IUPAC Name4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5)c4)nccn23)cn1
InChIInChI=1S/2C21H23N7O.C20H21N7O.C14H13N7S/c1-27-13-15(11-25-27)19-12-24-21-20(23-8-9-28(19)21)26-16-4-2-6-18(10-16)29-14-17-5-3-7-22-17;1-27-14-15(12-25-27)19-13-24-21-20(23-9-10-28(19)21)26-16-3-2-4-18(11-16)29-17-5-7-22-8-6-17;1-26-13-14(10-24-26)18-12-23-20-19(22-7-8-27(18)20)25-15-3-2-4-16(9-15)28-17-5-6-21-11-17;1-9-8-22-14(18-9)19-12-13-16-6-11(21(13)4-3-15-12)10-5-17-20(2)7-10/h2,4,6,8-13,17,22H,3,5,7,14H2,1H3,(H,23,26);2-4,9-14,17,22H,5-8H2,1H3,(H,23,26);2-4,7-10,12-13,17,21H,5-6,11H2,1H3,(H,22,25);3-8H,1-2H3,(H,15,18,19)
InChIKeyMBQXUNUHCKDBTO-UHFFFAOYSA-N
XLogP11.26
TPSA316.83 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.74
LogP ≤ 511.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 159519833) is 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5)c4)nccn23)cn1.
What is the InChIKey of 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MBQXUNUHCKDBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N7O.C20H21N7O.C14H13N7S/c1-27-13-15(11-25-27)19-12-24-21-20(23-8-9-28(19)21)26-16-4-2-6-18(10-16)29-14-17-5-3-7-22-17;1-27-14-15(12-25-27)19-13-24-21-20(23-9-10-28(19)21)26-16-3-2-4-18(11-16)29-17-5-7-22-8-6-17;1-26-13-14(10-24-26)18-12-23-20-19(22-7-8-27(18)20)25-15-3-2-4-16(9-15)28-17-5-6-21-11-17;1-9-8-22-14(18-9)19-12-13-16-6-11(21(13)4-3-15-12)10-5-17-20(2)7-10/h2,4,6,8-13,17,22H,3,5,7,14H2,1H3,(H,23,26);2-4,9-14,17,22H,5-8H2,1H3,(H,23,26);2-4,7-10,12-13,17,21H,5-6,11H2,1H3,(H,22,25);3-8H,1-2H3,(H,15,18,19).
What are the key properties of 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1465.74 g/mol, XLogP of 11.26, 19 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-3-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 159519833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).