2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

C25H27Cl2N5O3 — CID 175347702

About 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 175347702) has the molecular formula C25H27Cl2N5O3 and a molecular weight of 516.43 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• PubChem CID: 175347702
• Molecular Formula: C25H27Cl2N5O3
• Molecular Weight: 516.43 g/mol
• Exact Mass: 515.15
• IUPAC Name: 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• SMILES: COc1nc(-c2cccc(-c3ccn4c(Cl)c(CNCCO)nc4c3)c2Cl)ccc1CNCCO
• InChI: InChI=1S/C25H27Cl2N5O3/c1-35-25-17(14-28-8-11-33)5-6-20(31-25)19-4-2-3-18(23(19)26)16-7-10-32-22(13-16)30-21(24(32)27)15-29-9-12-34/h2-7,10,13,28-29,33-34H,8-9,11-12,14-15H2,1H3
• InChIKey: RCICNPRMBPMPPZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 103.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The IUPAC name of 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (CID 175347702) is 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

What is the SMILES notation for 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The canonical SMILES for 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is COc1nc(-c2cccc(-c3ccn4c(Cl)c(CNCCO)nc4c3)c2Cl)ccc1CNCCO.

What is the InChIKey of 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The InChIKey is RCICNPRMBPMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3/c1-35-25-17(14-28-8-11-33)5-6-20(31-25)19-4-2-3-18(23(19)26)16-7-10-32-22(13-16)30-21(24(32)27)15-29-9-12-34/h2-7,10,13,28-29,33-34H,8-9,11-12,14-15H2,1H3.

What are the key properties of 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 516.43 g/mol, XLogP of 3.54, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-chloro-3-[3-chloro-2-[(2-hydroxyethylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 175347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).