[4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

C₂₁H₂₄ClFN₄O₂ — CID 140914423

About [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

[4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 140914423) has the molecular formula C₂₁H₂₄ClFN₄O₂ and a molecular weight of 418.90 g/mol. Its IUPAC name is [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

• Compound Name: [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
• PubChem CID: 140914423
• Molecular Formula: C₂₁H₂₄ClFN₄O₂
• Molecular Weight: 418.90 g/mol
• Exact Mass: 418.16
• IUPAC Name: [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
• SMILES: COc1cc(CO)c(-c2cn3ccc(N4CCN(CCF)CC4)cc3n2)cc1Cl
• InChI: InChI=1S/C21H24ClFN4O2/c1-29-20-10-15(14-28)17(12-18(20)22)19-13-27-4-2-16(11-21(27)24-19)26-8-6-25(5-3-23)7-9-26/h2,4,10-13,28H,3,5-9,14H2,1H3
• InChIKey: AHNWSJPYOWDFTQ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.90
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?

The IUPAC name of [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (CID 140914423) is [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.

What is the SMILES notation for [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?

The canonical SMILES for [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(CCF)CC4)cc3n2)cc1Cl.

What is the InChIKey of [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?

The InChIKey is AHNWSJPYOWDFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c1-29-20-10-15(14-28)17(12-18(20)22)19-13-27-4-2-16(11-21(27)24-19)26-8-6-25(5-3-23)7-9-26/h2,4,10-13,28H,3,5-9,14H2,1H3.

What are the key properties of [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?

[4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 418.90 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140914423 — identifiers, structure, computed properties (public domain)

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