5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

C98H113ClI2N26O13 — CID 157192661

About 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one

5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 157192661) has the molecular formula C98H113ClI2N26O13 and a molecular weight of 2152.41 g/mol. Its IUPAC name is 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

• Compound Name: 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• PubChem CID: 157192661
• Molecular Formula: C98H113ClI2N26O13
• Molecular Weight: 2152.41 g/mol
• Exact Mass: 2150.68
• IUPAC Name: 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
• SMILES: CN.CN1CCC(N2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)CC1.CN1CCC(N2Cc3cc(N)c(N)cc3C2=O)CC1.CN1CCC(N2Cc3cc4[nH]c(-c5c(Cl)cc[nH]c5=O)nc4cc3C2=O)CC1.CNc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O.COc1nccc(I)c1C=O
• InChI: InChI=1S/C21H22IN5O2.C21H24N6O2.C20H20ClN5O2.C14H16N4O4.C14H20N4O.C7H6INO2.CH5N/c1-26-7-4-13(5-8-26)27-11-12-9-16-17(10-14(12)21(27)28)25-19(24-16)18-15(22)3-6-23-20(18)29-2;1-22-15-3-6-23-20(28)18(15)19-24-16-9-12-11-27(13-4-7-26(2)8-5-13)21(29)14(12)10-17(16)25-19;1-25-6-3-12(4-7-25)26-10-11-8-15-16(9-13(11)20(26)28)24-18(23-15)17-14(21)2-5-22-19(17)27;1-16-4-2-8(3-5-16)17-13(19)9-6-11(15)12(18(21)22)7-10(9)14(17)20;1-17-4-2-10(3-5-17)18-8-9-6-12(15)13(16)7-11(9)14(18)19;1-11-7-5(4-10)6(8)2-3-9-7;1-2/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,24,25);3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,24,25)(H2,22,23,28);2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,22,27)(H,23,24);6-8H,2-5,15H2,1H3;6-7,10H,2-5,8,15-16H2,1H3;2-4H,1H3;2H2,1H3
• InChIKey: APWQRFCDFMVRDY-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 507.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.41
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The IUPAC name of 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one (CID 157192661) is 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one.

What is the SMILES notation for 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The canonical SMILES for 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is CN.CN1CCC(N2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)CC1.CN1CCC(N2Cc3cc(N)c(N)cc3C2=O)CC1.CN1CCC(N2Cc3cc4[nH]c(-c5c(Cl)cc[nH]c5=O)nc4cc3C2=O)CC1.CNc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O.COc1nccc(I)c1C=O.

What is the InChIKey of 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

The InChIKey is APWQRFCDFMVRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22IN5O2.C21H24N6O2.C20H20ClN5O2.C14H16N4O4.C14H20N4O.C7H6INO2.CH5N/c1-26-7-4-13(5-8-26)27-11-12-9-16-17(10-14(12)21(27)28)25-19(24-16)18-15(22)3-6-23-20(18)29-2;1-22-15-3-6-23-20(28)18(15)19-24-16-9-12-11-27(13-4-7-26(2)8-5-13)21(29)14(12)10-17(16)25-19;1-25-6-3-12(4-7-25)26-10-11-8-15-16(9-13(11)20(26)28)24-18(23-15)17-14(21)2-5-22-19(17)27;1-16-4-2-8(3-5-16)17-13(19)9-6-11(15)12(18(21)22)7-10(9)14(17)20;1-17-4-2-10(3-5-17)18-8-9-6-12(15)13(16)7-11(9)14(18)19;1-11-7-5(4-10)6(8)2-3-9-7;1-2/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,24,25);3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,24,25)(H2,22,23,28);2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,22,27)(H,23,24);6-8H,2-5,15H2,1H3;6-7,10H,2-5,8,15-16H2,1H3;2-4H,1H3;2H2,1H3.

What are the key properties of 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one?

5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 2152.41 g/mol, XLogP of 10.77, 13 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(1-methylpiperidin-4-yl)-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;5,6-diamino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;methanamine;2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-6-(1-methylpiperidin-4-yl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 157192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).