3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid

C27H26FN3O4 — CID 167217356

IUPAC3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(F)cc1Cc1nc2cc(-c3c(C)noc3C)ccn2c1C1=CCCC(C(=O)O)C1
InChIInChI=1S/C27H26FN3O4/c1-15-25(16(2)35-30-15)17-9-10-31-24(14-17)29-22(13-20-12-21(28)7-8-23(20)34-3)26(31)18-5-4-6-19(11-18)27(32)33/h5,7-10,12,14,19H,4,6,11,13H2,1-3H3,(H,32,33)
InChIKeyCFLWINFXQADHHA-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.61
Rot. Bonds6

About 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid

3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 167217356) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid
PubChem CID167217356
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(F)cc1Cc1nc2cc(-c3c(C)noc3C)ccn2c1C1=CCCC(C(=O)O)C1
InChIInChI=1S/C27H26FN3O4/c1-15-25(16(2)35-30-15)17-9-10-31-24(14-17)29-22(13-20-12-21(28)7-8-23(20)34-3)26(31)18-5-4-6-19(11-18)27(32)33/h5,7-10,12,14,19H,4,6,11,13H2,1-3H3,(H,32,33)
InChIKeyCFLWINFXQADHHA-UHFFFAOYSA-N
XLogP5.61
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 146588960
methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate
CID 167217573
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 146524803
N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
(6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one
CID 167217435
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5125904
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-5-methoxyphenyl)-2-methyl-3H-isoindol-1-one
CID 86295259
1-[(5-chloro-2-methoxyphenyl)-(2,4-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4267034
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid (CID 167217356) is 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid is COc1ccc(F)cc1Cc1nc2cc(-c3c(C)noc3C)ccn2c1C1=CCCC(C(=O)O)C1.
What is the InChIKey of 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is CFLWINFXQADHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-15-25(16(2)35-30-15)17-9-10-31-24(14-17)29-22(13-20-12-21(28)7-8-23(20)34-3)26(31)18-5-4-6-19(11-18)27(32)33/h5,7-10,12,14,19H,4,6,11,13H2,1-3H3,(H,32,33).
What are the key properties of 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid?
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 475.52 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 167217356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).