6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate

C58H71N23O3S2 — CID 143461184

About 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate

6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 143461184) has the molecular formula C58H71N23O3S2 and a molecular weight of 1202.50 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

• Compound Name: 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
• PubChem CID: 143461184
• Molecular Formula: C58H71N23O3S2
• Molecular Weight: 1202.50 g/mol
• Exact Mass: 1201.56
• IUPAC Name: 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate
• SMILES: C=N/C(=C\n1c(-c2cnn(C)c2)cnc1CNc1cc(C)c(C(N)=O)s1)CCN.CC.CCOC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)cc1C.Cn1cc(-c2cnc3c(Nc4ccccn4)nc(CCN)cn23)cn1
• InChI: InChI=1S/C20H23N7O2S.C19H24N8OS.C17H18N8.C2H6/c1-4-29-20(28)17-12(2)7-16(30-17)25-18-19-22-9-15(13-8-23-26(3)10-13)27(19)11-14(24-18)5-6-21;1-12-6-17(29-18(12)19(21)28)24-9-16-23-8-15(13-7-25-26(3)10-13)27(16)11-14(22-2)4-5-20;1-24-10-12(8-21-24)14-9-20-17-16(23-15-4-2-3-7-19-15)22-13(5-6-18)11-25(14)17;1-2/h7-11H,4-6,21H2,1-3H3,(H,24,25);6-8,10-11,24H,2,4-5,9,20H2,1,3H3,(H2,21,28);2-4,7-11H,5-6,18H2,1H3,(H,19,22,23);1-2H3/b;14-11-
• InChIKey: SOBYAWYUGWJWKP-PEMPOLPPSA-N
• XLogP: 7.93
• TPSA: 340.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1202.50
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate?

The IUPAC name of 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate (CID 143461184) is 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate.

What is the SMILES notation for 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate?

The canonical SMILES for 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate is C=N/C(=C\n1c(-c2cnn(C)c2)cnc1CNc1cc(C)c(C(N)=O)s1)CCN.CC.CCOC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)cc1C.Cn1cc(-c2cnc3c(Nc4ccccn4)nc(CCN)cn23)cn1.

What is the InChIKey of 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate?

The InChIKey is SOBYAWYUGWJWKP-PEMPOLPPSA-N. The full InChI is InChI=1S/C20H23N7O2S.C19H24N8OS.C17H18N8.C2H6/c1-4-29-20(28)17-12(2)7-16(30-17)25-18-19-22-9-15(13-8-23-26(3)10-13)27(19)11-14(24-18)5-6-21;1-12-6-17(29-18(12)19(21)28)24-9-16-23-8-15(13-7-25-26(3)10-13)27(16)11-14(22-2)4-5-20;1-24-10-12(8-21-24)14-9-20-17-16(23-15-4-2-3-7-19-15)22-13(5-6-18)11-25(14)17;1-2/h7-11H,4-6,21H2,1-3H3,(H,24,25);6-8,10-11,24H,2,4-5,9,20H2,1,3H3,(H2,21,28);2-4,7-11H,5-6,18H2,1H3,(H,19,22,23);1-2H3/b;14-11-;;.

What are the key properties of 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate?

6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 1202.50 g/mol, XLogP of 7.93, 21 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)-N-pyridin-2-ylimidazo[1,2-a]pyrazin-8-amine;5-[[1-[(Z)-4-amino-2-(methylideneamino)but-1-enyl]-5-(1-methylpyrazol-4-yl)imidazol-2-yl]methylamino]-3-methylthiophene-2-carboxamide;ethane;ethyl 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 143461184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).