N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide

C93H81Cl3N12O15 — CID 158180930

About N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide

N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide (PubChem CID 158180930) has the molecular formula C93H81Cl3N12O15 and a molecular weight of 1713.10 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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide
• PubChem CID: 158180930
• Molecular Formula: C93H81Cl3N12O15
• Molecular Weight: 1713.10 g/mol
• Exact Mass: 1710.50
• 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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide
• SMILES: COCCOc1ccc(C(=O)Nc2cc3cc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)[nH]c3cn2)cc1.COCCOc1ccc(C(=O)Nc2ccc3nc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)cn3c2)cc1.COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)cc3c2)cc1
• InChI: InChI=1S/3C31H27ClN4O5/c1-40-12-13-41-22-9-6-19(7-10-22)30(38)33-21-8-11-28-34-25(18-35(28)17-21)31(39)36-16-20(15-32)29-24-5-3-2-4-23(24)27(37)14-26(29)36;1-40-10-11-41-22-8-6-18(7-9-22)30(38)34-21-12-19-13-25(35-29(19)33-16-21)31(39)36-17-20(15-32)28-24-5-3-2-4-23(24)27(37)14-26(28)36;1-40-10-11-41-21-8-6-18(7-9-21)30(38)35-28-13-19-12-24(34-25(19)16-33-28)31(39)36-17-20(15-32)29-23-5-3-2-4-22(23)27(37)14-26(29)36/h2-11,14,17-18,20,37H,12-13,15-16H2,1H3,(H,33,38);2-9,12-14,16,20,37H,10-11,15,17H2,1H3,(H,33,35)(H,34,38);2-9,12-14,16,20,34,37H,10-11,15,17H2,1H3,(H,33,35,38)/t3*20-/m111/s1
• InChIKey: FYOSZEYFWMNBRK-LNQJWJLNSA-N
• XLogP: 16.82
• TPSA: 338.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.10
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide (CID 158180930) is N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2cc3cc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)[nH]c3cn2)cc1.COCCOc1ccc(C(=O)Nc2ccc3nc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)cn3c2)cc1.COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)cc3c2)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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide?

The InChIKey is FYOSZEYFWMNBRK-LNQJWJLNSA-N. The full InChI is InChI=1S/3C31H27ClN4O5/c1-40-12-13-41-22-9-6-19(7-10-22)30(38)33-21-8-11-28-34-25(18-35(28)17-21)31(39)36-16-20(15-32)29-24-5-3-2-4-23(24)27(37)14-26(29)36;1-40-10-11-41-22-8-6-18(7-9-22)30(38)34-21-12-19-13-25(35-29(19)33-16-21)31(39)36-17-20(15-32)28-24-5-3-2-4-23(24)27(37)14-26(28)36;1-40-10-11-41-21-8-6-18(7-9-21)30(38)35-28-13-19-12-24(34-25(19)16-33-28)31(39)36-17-20(15-32)29-23-5-3-2-4-22(23)27(37)14-26(29)36/h2-11,14,17-18,20,37H,12-13,15-16H2,1H3,(H,33,38);2-9,12-14,16,20,37H,10-11,15,17H2,1H3,(H,33,35)(H,34,38);2-9,12-14,16,20,34,37H,10-11,15,17H2,1H3,(H,33,35,38)/t3*20-/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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide?

N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide has a molecular weight of 1713.10 g/mol, XLogP of 16.82, 24 rotatable bonds, 8 hydrogen bond donors, and 19 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-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)benzamide is sourced from PubChem (CID 158180930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).