N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide

C96H87Cl3N12O18 — CID 157058160

About N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide

N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide (PubChem CID 157058160) has the molecular formula C96H87Cl3N12O18 and a molecular weight of 1803.18 g/mol. Its IUPAC name is N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
• PubChem CID: 157058160
• Molecular Formula: C96H87Cl3N12O18
• Molecular Weight: 1803.18 g/mol
• Exact Mass: 1800.53
• IUPAC Name: N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
• SMILES: O=C(Nc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2cn1)c1ccc(OCCOCCO)cc1.O=C(Nc1ccc2nc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cn2c1)c1ccc(OCCOCCO)cc1.O=C(Nc1cnc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1ccc(OCCOCCO)cc1
• InChI: InChI=1S/3C32H29ClN4O6/c33-16-21-17-37(27-15-28(39)24-3-1-2-4-25(24)30(21)27)32(41)26-19-36-18-22(7-10-29(36)35-26)34-31(40)20-5-8-23(9-6-20)43-14-13-42-12-11-38;33-16-21-18-37(27-15-28(39)24-3-1-2-4-25(24)29(21)27)32(41)26-14-20-13-22(17-34-30(20)36-26)35-31(40)19-5-7-23(8-6-19)43-12-11-42-10-9-38;33-16-21-18-37(27-15-28(39)23-3-1-2-4-24(23)30(21)27)32(41)25-13-20-14-29(34-17-26(20)35-25)36-31(40)19-5-7-22(8-6-19)43-12-11-42-10-9-38/h1-10,15,18-19,21,38-39H,11-14,16-17H2,(H,34,40);1-8,13-15,17,21,38-39H,9-12,16,18H2,(H,34,36)(H,35,40);1-8,13-15,17,21,35,38-39H,9-12,16,18H2,(H,34,36,40)/t3*21-/m111/s1
• InChIKey: AAZQYLPAHKTPTN-XGUJHHNJSA-N
• XLogP: 14.90
• TPSA: 399.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.18
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide?

The IUPAC name of N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide (CID 157058160) is N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide.

What is the SMILES notation for N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide?

The canonical SMILES for N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide is O=C(Nc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2cn1)c1ccc(OCCOCCO)cc1.O=C(Nc1ccc2nc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cn2c1)c1ccc(OCCOCCO)cc1.O=C(Nc1cnc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1ccc(OCCOCCO)cc1.

What is the InChIKey of N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide?

The InChIKey is AAZQYLPAHKTPTN-XGUJHHNJSA-N. The full InChI is InChI=1S/3C32H29ClN4O6/c33-16-21-17-37(27-15-28(39)24-3-1-2-4-25(24)30(21)27)32(41)26-19-36-18-22(7-10-29(36)35-26)34-31(40)20-5-8-23(9-6-20)43-14-13-42-12-11-38;33-16-21-18-37(27-15-28(39)24-3-1-2-4-25(24)29(21)27)32(41)26-14-20-13-22(17-34-30(20)36-26)35-31(40)19-5-7-23(8-6-19)43-12-11-42-10-9-38;33-16-21-18-37(27-15-28(39)23-3-1-2-4-24(23)30(21)27)32(41)25-13-20-14-29(34-17-26(20)35-25)36-31(40)19-5-7-22(8-6-19)43-12-11-42-10-9-38/h1-10,15,18-19,21,38-39H,11-14,16-17H2,(H,34,40);1-8,13-15,17,21,38-39H,9-12,16,18H2,(H,34,36)(H,35,40);1-8,13-15,17,21,35,38-39H,9-12,16,18H2,(H,34,36,40)/t3*21-/m111/s1.

What are the key properties of N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide?

N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide has a molecular weight of 1803.18 g/mol, XLogP of 14.90, 30 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide is sourced from PubChem (CID 157058160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).