[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone

C33H37FN4O2 — CID 98442052

IUPAC[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone
SMILESCO[C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5cccc(C)c5)cn34)CC2)C1
InChIInChI=1S/C33H37FN4O2/c1-23-5-3-6-25(19-23)27-11-14-31-35-32(24-9-12-28(34)13-10-24)30(38(31)21-27)22-36-15-17-37(18-16-36)33(39)26-7-4-8-29(20-26)40-2/h3,5-6,9-14,19,21,26,29H,4,7-8,15-18,20,22H2,1-2H3/t26-,29-/m1/s1
InChIKeyQDFVINQSLLXSTI-GGXMVOPNSA-N
MW540.68 g/mol
LogP5.97
Rot. Bonds6

About [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone

[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone (PubChem CID 98442052) has the molecular formula C33H37FN4O2 and a molecular weight of 540.68 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone
PubChem CID98442052
Molecular FormulaC33H37FN4O2
Molecular Weight540.68 g/mol
Exact Mass540.29
IUPAC Name[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone
SMILESCO[C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5cccc(C)c5)cn34)CC2)C1
InChIInChI=1S/C33H37FN4O2/c1-23-5-3-6-25(19-23)27-11-14-31-35-32(24-9-12-28(34)13-10-24)30(38(31)21-27)22-36-15-17-37(18-16-36)33(39)26-7-4-8-29(20-26)40-2/h3,5-6,9-14,19,21,26,29H,4,7-8,15-18,20,22H2,1-2H3/t26-,29-/m1/s1
InChIKeyQDFVINQSLLXSTI-GGXMVOPNSA-N
XLogP5.97
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone with MolForge

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Related Compounds

[(1S,3R)-3-methoxycyclohexyl]-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 98444524
[(1R,3S)-3-methoxycyclohexyl]-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 98444521
(3-methoxycyclohexyl)-[4-[[2-(4-methylphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277581
(3-methoxycyclohexyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274408
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833
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-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 83290102
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
1-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286683

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone?
The IUPAC name of [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone (CID 98442052) is [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone is CO[C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5cccc(C)c5)cn34)CC2)C1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone?
The InChIKey is QDFVINQSLLXSTI-GGXMVOPNSA-N. The full InChI is InChI=1S/C33H37FN4O2/c1-23-5-3-6-25(19-23)27-11-14-31-35-32(24-9-12-28(34)13-10-24)30(38(31)21-27)22-36-15-17-37(18-16-36)33(39)26-7-4-8-29(20-26)40-2/h3,5-6,9-14,19,21,26,29H,4,7-8,15-18,20,22H2,1-2H3/t26-,29-/m1/s1.
What are the key properties of [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone?
[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone has a molecular weight of 540.68 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone is sourced from PubChem (CID 98442052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).