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

C28H25FN4O3 — CID 123895132

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

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid (PubChem CID 123895132) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid
• PubChem CID: 123895132
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid
• SMILES: Cc1nc2c(cc(-c3ccc4nccn4c3)n2C)c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O
• InChI: InChI=1S/C28H25FN4O3/c1-15-18-5-4-10-36-27(18)22(29)11-19(15)26-20(13-25(34)35)16(2)31-28-21(26)12-23(32(28)3)17-6-7-24-30-8-9-33(24)14-17/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,34,35)
• InChIKey: JYCQFCRRBSSKOD-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 81.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid (CID 123895132) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid.

What is the SMILES notation for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid is Cc1nc2c(cc(-c3ccc4nccn4c3)n2C)c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O.

What is the InChIKey of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The InChIKey is JYCQFCRRBSSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-15-18-5-4-10-36-27(18)22(29)11-19(15)26-20(13-25(34)35)16(2)31-28-21(26)12-23(32(28)3)17-6-7-24-30-8-9-33(24)14-17/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,34,35).

What are the key properties of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid?

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid has a molecular weight of 484.53 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-imidazo[1,2-a]pyridin-6-yl-1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetic acid is sourced from PubChem (CID 123895132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).