N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine

C63H82N26S2 — CID 143465223

About N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine

N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine (PubChem CID 143465223) has the molecular formula C63H82N26S2 and a molecular weight of 1267.66 g/mol. Its IUPAC name is N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine.

Molecular Properties

• Compound Name: N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine
• PubChem CID: 143465223
• Molecular Formula: C63H82N26S2
• Molecular Weight: 1267.66 g/mol
• Exact Mass: 1266.67
• IUPAC Name: N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine
• SMILES: C=C(c1cnn(N(CC)CCC)c1)N(C)/C=C(/CCCN)NC(/C=N/C)=N/c1cc(C)ns1.CCC(C)c1cc(Nc2nccn3c(C4=CN(C)NC4)cnc23)sn1.CCNC.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C#N)cn23)cn1
• InChI: InChI=1S/C23H37N9S.C20H15N9.C17H21N7S.C3H9N/c1-7-12-31(8-2)32-16-20(14-26-32)19(4)30(6)17-21(10-9-11-24)27-22(15-25-5)28-23-13-18(3)29-33-23;1-27-11-14(9-24-27)18-10-23-20-19(26-16(8-21)12-29(18)20)25-15-2-4-17(5-3-15)28-7-6-22-13-28;1-4-11(2)13-7-15(25-22-13)21-16-17-19-9-14(24(17)6-5-18-16)12-8-20-23(3)10-12;1-3-4-2/h13-17H,4,7-12,24H2,1-3,5-6H3,(H,27,28);2-7,9-13H,1H3,(H,25,26);5-7,9-11,20H,4,8H2,1-3H3,(H,18,21);4H,3H2,1-2H3/b21-17-,25-15+
• InChIKey: CHSHTWSZDKXHTD-FKGUTRMGSA-N
• XLogP: 9.91
• TPSA: 284.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1267.66
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?

The IUPAC name of N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine (CID 143465223) is N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine.

What is the SMILES notation for N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?

The canonical SMILES for N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine is C=C(c1cnn(N(CC)CCC)c1)N(C)/C=C(/CCCN)NC(/C=N/C)=N/c1cc(C)ns1.CCC(C)c1cc(Nc2nccn3c(C4=CN(C)NC4)cnc23)sn1.CCNC.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C#N)cn23)cn1.

What is the InChIKey of N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?

The InChIKey is CHSHTWSZDKXHTD-FKGUTRMGSA-N. The full InChI is InChI=1S/C23H37N9S.C20H15N9.C17H21N7S.C3H9N/c1-7-12-31(8-2)32-16-20(14-26-32)19(4)30(6)17-21(10-9-11-24)27-22(15-25-5)28-23-13-18(3)29-33-23;1-27-11-14(9-24-27)18-10-23-20-19(26-16(8-21)12-29(18)20)25-15-2-4-17(5-3-15)28-7-6-22-13-28;1-4-11(2)13-7-15(25-22-13)21-16-17-19-9-14(24(17)6-5-18-16)12-8-20-23(3)10-12;1-3-4-2/h13-17H,4,7-12,24H2,1-3,5-6H3,(H,27,28);2-7,9-13H,1H3,(H,25,26);5-7,9-11,20H,4,8H2,1-3H3,(H,18,21);4H,3H2,1-2H3/b21-17-,25-15+;;;.

What are the key properties of N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?

N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine has a molecular weight of 1267.66 g/mol, XLogP of 9.91, 23 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-5-amino-1-[1-[1-[ethyl(propyl)amino]pyrazol-4-yl]ethenyl-methylamino]pent-1-en-2-yl]-2-methylimino-N'-(3-methyl-1,2-thiazol-5-yl)ethanimidamide;3-butan-2-yl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine is sourced from PubChem (CID 143465223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).