[(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate

C37H40N6O7 — CID 142597863

About [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate

[(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate (PubChem CID 142597863) has the molecular formula C37H40N6O7 and a molecular weight of 680.76 g/mol. Its IUPAC name is [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

• Compound Name: [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate
• PubChem CID: 142597863
• Molecular Formula: C37H40N6O7
• Molecular Weight: 680.76 g/mol
• Exact Mass: 680.30
• IUPAC Name: [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate
• SMILES: CNCCN(CCOCCO)C(=O)Oc1cc2c(c3c(C)cccc13)[C@H](C)CN2C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
• InChI: InChI=1S/C37H40N6O7/c1-23-5-4-6-28-31(50-37(48)41(14-13-38-3)15-17-49-18-16-44)19-30-34(33(23)28)24(2)20-43(30)36(47)29-22-42-21-26(9-12-32(42)40-29)39-35(46)25-7-10-27(45)11-8-25/h4-12,19,21-22,24,38,44-45H,13-18,20H2,1-3H3,(H,39,46)/t24-/m1/s1
• InChIKey: FSRGMVUZNLEBCS-XMMPIXPASA-N
• XLogP: 4.55
• TPSA: 157.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.76
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate?

The IUPAC name of [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate (CID 142597863) is [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate.

What is the SMILES notation for [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate?

The canonical SMILES for [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate is CNCCN(CCOCCO)C(=O)Oc1cc2c(c3c(C)cccc13)[C@H](C)CN2C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1.

What is the InChIKey of [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate?

The InChIKey is FSRGMVUZNLEBCS-XMMPIXPASA-N. The full InChI is InChI=1S/C37H40N6O7/c1-23-5-4-6-28-31(50-37(48)41(14-13-38-3)15-17-49-18-16-44)19-30-34(33(23)28)24(2)20-43(30)36(47)29-22-42-21-26(9-12-32(42)40-29)39-35(46)25-7-10-27(45)11-8-25/h4-12,19,21-22,24,38,44-45H,13-18,20H2,1-3H3,(H,39,46)/t24-/m1/s1.

What are the key properties of [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate?

[(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 680.76 g/mol, XLogP of 4.55, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,9-dimethyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 142597863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).