N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

C40H55N17OS2 — CID 143465044

About N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (PubChem CID 143465044) has the molecular formula C40H55N17OS2 and a molecular weight of 854.13 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.

Molecular Properties

• Compound Name: N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
• PubChem CID: 143465044
• Molecular Formula: C40H55N17OS2
• Molecular Weight: 854.13 g/mol
• Exact Mass: 853.42
• IUPAC Name: N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
• SMILES: C=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)ns2)/c1=N\C.CCNC.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1
• InChI: InChI=1S/C20H24N8OS.C17H22N8S.C3H9N/c1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13;1-11-7-15(26-23-11)22-16-17(19-3)25(10-14(21-16)5-6-18)12(2)13-8-20-24(4)9-13;1-3-4-2/h7,9-13,21,29H,2-6,8H2,1H3,(H,24,25);7-10H,2,5-6,18H2,1,3-4H3,(H,21,22);4H,3H2,1-2H3/b;19-17+
• InChIKey: RHOYXVJULXDASL-YCRFHJPDSA-N
• XLogP: 4.23
• TPSA: 216.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	854.13
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The IUPAC name of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (CID 143465044) is N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.

What is the SMILES notation for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The canonical SMILES for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is C=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)ns2)/c1=N\C.CCNC.Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1.

What is the InChIKey of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

The InChIKey is RHOYXVJULXDASL-YCRFHJPDSA-N. The full InChI is InChI=1S/C20H24N8OS.C17H22N8S.C3H9N/c1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13;1-11-7-15(26-23-11)22-16-17(19-3)25(10-14(21-16)5-6-18)12(2)13-8-20-24(4)9-13;1-3-4-2/h7,9-13,21,29H,2-6,8H2,1H3,(H,24,25);7-10H,2,5-6,18H2,1,3-4H3,(H,21,22);4H,3H2,1-2H3/b;19-17+;.

What are the key properties of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?

N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol has a molecular weight of 854.13 g/mol, XLogP of 4.23, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine;N-methylethanamine;3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is sourced from PubChem (CID 143465044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).