4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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
C76H82N30O2S — CID 158750598
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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
SMILESCN1CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)ccn2)CC1.Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5)c4)nccn23)cn1
InChIInChI=1S/2C21H23N7O.C20H23N9.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;1-26-7-9-28(10-8-26)18-11-16(3-4-21-18)25-19-20-23-13-17(29(20)6-5-22-19)15-12-24-27(2)14-15;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);3-6,11-14H,7-10H2,1-2H3,(H,21,22,25);3-8H,1-2H3,(H,15,18,19)
InChIKeyINKUIPIDFKDVEL-UHFFFAOYSA-N
MW1479.77 g/mol
LogP10.67
Rot. Bonds18
About 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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
4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 (PubChem CID 158750598) has the molecular formula C76H82N30O2S and a molecular weight of 1479.77 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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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.
Molecular Properties
| Compound Name | 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 |
|---|---|
| PubChem CID | 158750598 |
| Molecular Formula | C76H82N30O2S |
| Molecular Weight | 1479.77 g/mol |
| Exact Mass | 1478.70 |
| IUPAC Name | 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 |
| SMILES | CN1CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)ccn2)CC1.Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.Cn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(OCC5CCCN5)c4)nccn23)cn1 |
| InChI | InChI=1S/2C21H23N7O.C20H23N9.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;1-26-7-9-28(10-8-26)18-11-16(3-4-21-18)25-19-20-23-13-17(29(20)6-5-22-19)15-12-24-27(2)14-15;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);3-6,11-14H,7-10H2,1-2H3,(H,21,22,25);3-8H,1-2H3,(H,15,18,19) |
| InChIKey | INKUIPIDFKDVEL-UHFFFAOYSA-N |
| XLogP | 10.67 |
| TPSA | 314.94 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 109 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1479.77 |
| LogP ≤ 5 | 10.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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?
The IUPAC name of 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 (CID 158750598) is 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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.
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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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?
The canonical SMILES for 4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 is CN1CCN(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)ccn2)CC1.Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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?
The InChIKey is INKUIPIDFKDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N7O.C20H23N9.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;1-26-7-9-28(10-8-26)18-11-16(3-4-21-18)25-19-20-23-13-17(29(20)6-5-22-19)15-12-24-27(2)14-15;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);3-6,11-14H,7-10H2,1-2H3,(H,21,22,25);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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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?
4-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 has a molecular weight of 1479.77 g/mol, XLogP of 10.67, 18 rotatable bonds, 6 hydrogen bond donors, and 33 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;N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-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 is sourced from PubChem (CID 158750598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158750598 — identifiers, structure, computed properties (public domain)
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