2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

C26H28ClN5O — CID 138515663

About 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol

2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 138515663) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
• PubChem CID: 138515663
• Molecular Formula: C26H28ClN5O
• Molecular Weight: 462.00 g/mol
• Exact Mass: 461.20
• IUPAC Name: 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
• SMILES: Cc1c(-c2cc(N3CCN(c4ccc(C(C)(C)O)cn4)CC3)ccc2Cl)nc2ccccn12
• InChI: InChI=1S/C26H28ClN5O/c1-18-25(29-24-6-4-5-11-32(18)24)21-16-20(8-9-22(21)27)30-12-14-31(15-13-30)23-10-7-19(17-28-23)26(2,3)33/h4-11,16-17,33H,12-15H2,1-3H3
• InChIKey: PFTVWJAOCACACD-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 56.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.00
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?

The IUPAC name of 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol (CID 138515663) is 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is Cc1c(-c2cc(N3CCN(c4ccc(C(C)(C)O)cn4)CC3)ccc2Cl)nc2ccccn12.

What is the InChIKey of 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?

The InChIKey is PFTVWJAOCACACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c1-18-25(29-24-6-4-5-11-32(18)24)21-16-20(8-9-22(21)27)30-12-14-31(15-13-30)23-10-7-19(17-28-23)26(2,3)33/h4-11,16-17,33H,12-15H2,1-3H3.

What are the key properties of 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol?

2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 462.00 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 138515663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).