6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid

C25H23F2N5O4 — CID 90232507

IUPAC6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)c3cccc(C(=O)O)n3)n2c1
InChIInChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-30-14(2)22(32(23)11-13)24(33)29-10-18(28)19-7-4-8-20(31-19)25(34)35/h3-9,11,18H,10,12,28H2,1-2H3,(H,29,33)(H,34,35)
InChIKeyOTQMWXCWFVCINK-UHFFFAOYSA-N
MW495.49 g/mol
LogP3.33
Rot. Bonds8

About 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid

6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid (PubChem CID 90232507) has the molecular formula C25H23F2N5O4 and a molecular weight of 495.49 g/mol. Its IUPAC name is 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
PubChem CID90232507
Molecular FormulaC25H23F2N5O4
Molecular Weight495.49 g/mol
Exact Mass495.17
IUPAC Name6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)c3cccc(C(=O)O)n3)n2c1
InChIInChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-30-14(2)22(32(23)11-13)24(33)29-10-18(28)19-7-4-8-20(31-19)25(34)35/h3-9,11,18H,10,12,28H2,1-2H3,(H,29,33)(H,34,35)
InChIKeyOTQMWXCWFVCINK-UHFFFAOYSA-N
XLogP3.33
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Dgat1-IN-1
CID 71696573
N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190421
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190427
6-fluoro-N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 59190429
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190447
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190462
N-[4-[[5-fluoro-2-[3-[4-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190565
2-[1-[[6-(Cyclopropylmethoxy)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]propanoic acid
CID 151463815
PF-03716556
CID 25134521
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid (CID 90232507) is 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)c3cccc(C(=O)O)n3)n2c1.
What is the InChIKey of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
The InChIKey is OTQMWXCWFVCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-30-14(2)22(32(23)11-13)24(33)29-10-18(28)19-7-4-8-20(31-19)25(34)35/h3-9,11,18H,10,12,28H2,1-2H3,(H,29,33)(H,34,35).
What are the key properties of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid has a molecular weight of 495.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90232507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).