1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol

C23H29ClN4O2 — CID 4880735

About 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 4880735) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol
• PubChem CID: 4880735
• Molecular Formula: C23H29ClN4O2
• Molecular Weight: 428.96 g/mol
• Exact Mass: 428.20
• IUPAC Name: 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol
• SMILES: Cc1nc2ccccn2c1CN1CCN(CC(O)COCc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C23H29ClN4O2/c1-18-22(28-9-3-2-4-23(28)25-18)15-27-12-10-26(11-13-27)14-21(29)17-30-16-19-5-7-20(24)8-6-19/h2-9,21,29H,10-17H2,1H3
• InChIKey: YXOAOMNSJQMIOX-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.96
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol?

The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol (CID 4880735) is 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol.

What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol?

The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol is Cc1nc2ccccn2c1CN1CCN(CC(O)COCc2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol?

The InChIKey is YXOAOMNSJQMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-18-22(28-9-3-2-4-23(28)25-18)15-27-12-10-26(11-13-27)14-21(29)17-30-16-19-5-7-20(24)8-6-19/h2-9,21,29H,10-17H2,1H3.

What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol?

1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 428.96 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methoxy]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4880735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).