2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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

C52H73N17O2S3 — CID 143465089

About 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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

2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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 (PubChem CID 143465089) has the molecular formula C52H73N17O2S3 and a molecular weight of 1064.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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.

Molecular Properties

• Compound Name: 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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
• PubChem CID: 143465089
• Molecular Formula: C52H73N17O2S3
• Molecular Weight: 1064.47 g/mol
• Exact Mass: 1063.53
• IUPAC Name: 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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
• SMILES: C=C(NC1=NC=CN(C)C1=C)SC.CC.CC.CC.CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C1CCNCC1.Cc1cn2c(-c3cn[nH]c3)cnc2c(NC2=CC(C)N(C)S2)n1
• InChI: InChI=1S/C22H25N7O2S.C15H17N7S.C9H13N3S.3C2H6/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;1-9-8-22-12(11-5-17-18-6-11)7-16-15(22)14(19-9)20-13-4-10(2)21(3)23-13;1-7-9(11-8(2)13-4)10-5-6-12(7)3;3*1-2/h8-14,23H,3-7H2,1-2H3,(H,24,27);4-8,10H,1-3H3,(H,17,18)(H,19,20);5-6H,1-2H2,3-4H3,(H,10,11);3*1-2H3
• InChIKey: WILZOFJBWFAIJZ-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 200.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1064.47
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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?

The IUPAC name of 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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 (CID 143465089) is 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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.

What is the SMILES notation for 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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?

The canonical SMILES for 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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 is C=C(NC1=NC=CN(C)C1=C)SC.CC.CC.CC.CCOC(=O)c1sc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1C1CCNCC1.Cc1cn2c(-c3cn[nH]c3)cnc2c(NC2=CC(C)N(C)S2)n1.

What is the InChIKey of 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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?

The InChIKey is WILZOFJBWFAIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S.C15H17N7S.C9H13N3S.3C2H6/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;1-9-8-22-12(11-5-17-18-6-11)7-16-15(22)14(19-9)20-13-4-10(2)21(3)23-13;1-7-9(11-8(2)13-4)10-5-6-12(7)3;3*1-2/h8-14,23H,3-7H2,1-2H3,(H,24,27);4-8,10H,1-3H3,(H,17,18)(H,19,20);5-6H,1-2H2,3-4H3,(H,10,11);3*1-2H3.

What are the key properties of 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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?

2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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 has a molecular weight of 1064.47 g/mol, XLogP of 11.06, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3H-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 is sourced from PubChem (CID 143465089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).