3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C27H22FN5O5 — CID 155483907

IUPAC3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C27H22FN5O5/c1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2/h3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35)
InChIKeyTXNKPTBVAUEOBJ-UHFFFAOYSA-N
MW515.50 g/mol
LogP4.78
Rot. Bonds8

About 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 155483907) has the molecular formula C27H22FN5O5 and a molecular weight of 515.50 g/mol. Its IUPAC name is 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID155483907
Molecular FormulaC27H22FN5O5
Molecular Weight515.50 g/mol
Exact Mass515.16
IUPAC Name3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C27H22FN5O5/c1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2/h3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35)
InChIKeyTXNKPTBVAUEOBJ-UHFFFAOYSA-N
XLogP4.78
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 155483907) is 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is COc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.
What is the InChIKey of 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is TXNKPTBVAUEOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O5/c1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2/h3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35).
What are the key properties of 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 515.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 155483907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).