2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid

C33H29FN2O3 — CID 118335775

IUPAC2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid
SMILESCc1ccccc1-c1cccc(-c2cn3cc(C)c(CC(=O)O)c(-c4cc(F)c5c(c4C)CCCO5)c3n2)c1
InChIInChI=1S/C33H29FN2O3/c1-19-8-4-5-11-24(19)22-9-6-10-23(14-22)29-18-36-17-20(2)26(16-30(37)38)31(33(36)35-29)27-15-28(34)32-25(21(27)3)12-7-13-39-32/h4-6,8-11,14-15,17-18H,7,12-13,16H2,1-3H3,(H,37,38)
InChIKeyAZCHXXGTHRUEMW-UHFFFAOYSA-N
MW520.60 g/mol
LogP7.35
Rot. Bonds5

About 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid

2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid (PubChem CID 118335775) has the molecular formula C33H29FN2O3 and a molecular weight of 520.60 g/mol. Its IUPAC name is 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid
PubChem CID118335775
Molecular FormulaC33H29FN2O3
Molecular Weight520.60 g/mol
Exact Mass520.22
IUPAC Name2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid
SMILESCc1ccccc1-c1cccc(-c2cn3cc(C)c(CC(=O)O)c(-c4cc(F)c5c(c4C)CCCO5)c3n2)c1
InChIInChI=1S/C33H29FN2O3/c1-19-8-4-5-11-24(19)22-9-6-10-23(14-22)29-18-36-17-20(2)26(16-30(37)38)31(33(36)35-29)27-15-28(34)32-25(21(27)3)12-7-13-39-32/h4-6,8-11,14-15,17-18H,7,12-13,16H2,1-3H3,(H,37,38)
InChIKeyAZCHXXGTHRUEMW-UHFFFAOYSA-N
XLogP7.35
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid?
The IUPAC name of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid (CID 118335775) is 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid.
What is the SMILES notation for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid?
The canonical SMILES for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid is Cc1ccccc1-c1cccc(-c2cn3cc(C)c(CC(=O)O)c(-c4cc(F)c5c(c4C)CCCO5)c3n2)c1.
What is the InChIKey of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid?
The InChIKey is AZCHXXGTHRUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2O3/c1-19-8-4-5-11-24(19)22-9-6-10-23(14-22)29-18-36-17-20(2)26(16-30(37)38)31(33(36)35-29)27-15-28(34)32-25(21(27)3)12-7-13-39-32/h4-6,8-11,14-15,17-18H,7,12-13,16H2,1-3H3,(H,37,38).
What are the key properties of 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid?
2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid has a molecular weight of 520.60 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]acetic acid is sourced from PubChem (CID 118335775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).