6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one

C71H69N17O12 — CID 158380963

About 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one

6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one (PubChem CID 158380963) has the molecular formula C71H69N17O12 and a molecular weight of 1352.44 g/mol. Its IUPAC name is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one.

Molecular Properties

• Compound Name: 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one
• PubChem CID: 158380963
• Molecular Formula: C71H69N17O12
• Molecular Weight: 1352.44 g/mol
• Exact Mass: 1351.53
• IUPAC Name: 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one
• SMILES: CO/N=C1/C(=O)Nc2cc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)ccc21.CO/N=C1\C(=O)Nc2cc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)ccc21.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3=O)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1
• InChI: InChI=1S/2C24H24N6O4.C23H21N5O4/c2*1-12(14-8-20(31)25-10-14)34-24-22-19(26-11-30(22)15-4-5-15)9-17(28-24)13-3-6-16-18(7-13)27-23(32)21(16)29-33-2;1-11(13-7-19(29)24-9-13)32-23-20-18(25-10-28(20)14-3-4-14)8-16(27-23)12-2-5-15-17(6-12)26-22(31)21(15)30/h2*3,6-7,9,11-12,14-15H,4-5,8,10H2,1-2H3,(H,25,31)(H,27,29,32);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,24,29)(H,26,30,31)/t2*12-,14-;11-,13-/m111/s1
• InChIKey: GVTZCQQOFHXAGS-PKVFQMKVSA-N
• XLogP: 7.75
• TPSA: 354.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1352.44
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one?

The IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one (CID 158380963) is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one.

What is the SMILES notation for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one?

The canonical SMILES for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one is CO/N=C1/C(=O)Nc2cc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)ccc21.CO/N=C1\C(=O)Nc2cc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)ccc21.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3=O)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.

What is the InChIKey of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one?

The InChIKey is GVTZCQQOFHXAGS-PKVFQMKVSA-N. The full InChI is InChI=1S/2C24H24N6O4.C23H21N5O4/c2*1-12(14-8-20(31)25-10-14)34-24-22-19(26-11-30(22)15-4-5-15)9-17(28-24)13-3-6-16-18(7-13)27-23(32)21(16)29-33-2;1-11(13-7-19(29)24-9-13)32-23-20-18(25-10-28(20)14-3-4-14)8-16(27-23)12-2-5-15-17(6-12)26-22(31)21(15)30/h2*3,6-7,9,11-12,14-15H,4-5,8,10H2,1-2H3,(H,25,31)(H,27,29,32);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,24,29)(H,26,30,31)/t2*12-,14-;11-,13-/m111/s1.

What are the key properties of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one?

6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one has a molecular weight of 1352.44 g/mol, XLogP of 7.75, 17 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;(3E)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one;(3Z)-6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-methoxyimino-1H-indol-2-one is sourced from PubChem (CID 158380963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).