[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone

C33H31FN4O2 — CID 83282490

IUPAC[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5ccccc5)CC4)n3c2)c1
InChIInChI=1S/C33H31FN4O2/c1-2-40-29-10-6-9-26(21-29)27-13-16-31-35-32(24-11-14-28(34)15-12-24)30(38(31)22-27)23-36-17-19-37(20-18-36)33(39)25-7-4-3-5-8-25/h3-16,21-22H,2,17-20,23H2,1H3
InChIKeyCYYHGKUMIAZIBH-UHFFFAOYSA-N
MW534.64 g/mol
LogP6.16
Rot. Bonds7

About [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone

[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 83282490) has the molecular formula C33H31FN4O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
PubChem CID83282490
Molecular FormulaC33H31FN4O2
Molecular Weight534.64 g/mol
Exact Mass534.24
IUPAC Name[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5ccccc5)CC4)n3c2)c1
InChIInChI=1S/C33H31FN4O2/c1-2-40-29-10-6-9-26(21-29)27-13-16-31-35-32(24-11-14-28(34)15-12-24)30(38(31)22-27)23-36-17-19-37(20-18-36)33(39)25-7-4-3-5-8-25/h3-16,21-22H,2,17-20,23H2,1H3
InChIKeyCYYHGKUMIAZIBH-UHFFFAOYSA-N
XLogP6.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
(3-fluorophenyl)-[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83279212
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272337
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005
[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279108
(4-methoxyphenyl)-[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83275123
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876
1-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286730
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 91635527

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone (CID 83282490) is [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone is CCOc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(C(=O)c5ccccc5)CC4)n3c2)c1.
What is the InChIKey of [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is CYYHGKUMIAZIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O2/c1-2-40-29-10-6-9-26(21-29)27-13-16-31-35-32(24-11-14-28(34)15-12-24)30(38(31)22-27)23-36-17-19-37(20-18-36)33(39)25-7-4-3-5-8-25/h3-16,21-22H,2,17-20,23H2,1H3.
What are the key properties of [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 534.64 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 83282490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).