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

C21H24ClFN4O2 — CID 140914423

IUPAC[4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(CCF)CC4)cc3n2)cc1Cl
InChIInChI=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
InChIKeyAHNWSJPYOWDFTQ-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.25
Rot. Bonds6

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 CID140914423
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC Name[4-chloro-2-[7-[4-(2-fluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(CCF)CC4)cc3n2)cc1Cl
InChIInChI=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
InChIKeyAHNWSJPYOWDFTQ-UHFFFAOYSA-N
XLogP3.25
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).