1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol

C25H34N4O2 — CID 42884551

About 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol

1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 42884551) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
• PubChem CID: 42884551
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
• SMILES: CC(C)(C)c1ccccc1OCC(O)CN1CCN(Cc2cn3ccccc3n2)CC1
• InChI: InChI=1S/C25H34N4O2/c1-25(2,3)22-8-4-5-9-23(22)31-19-21(30)18-28-14-12-27(13-15-28)16-20-17-29-11-7-6-10-24(29)26-20/h4-11,17,21,30H,12-16,18-19H2,1-3H3
• InChIKey: FPAWFTSSJPFYCF-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?

The IUPAC name of 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol (CID 42884551) is 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol.

What is the SMILES notation for 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?

The canonical SMILES for 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol is CC(C)(C)c1ccccc1OCC(O)CN1CCN(Cc2cn3ccccc3n2)CC1.

What is the InChIKey of 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?

The InChIKey is FPAWFTSSJPFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-25(2,3)22-8-4-5-9-23(22)31-19-21(30)18-28-14-12-27(13-15-28)16-20-17-29-11-7-6-10-24(29)26-20/h4-11,17,21,30H,12-16,18-19H2,1-3H3.

What are the key properties of 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol?

1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 422.57 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butylphenoxy)-3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 42884551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).