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

C25H23F2N5O4 — CID 90232574

IUPAC6-[2-amino-1-[[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)NC(CN)c3cccc(C(=O)O)n3)n2c1
InChIInChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-29-14(2)22(32(23)11-13)24(33)31-20(10-28)18-7-4-8-19(30-18)25(34)35/h3-9,11,20H,10,12,28H2,1-2H3,(H,31,33)(H,34,35)
InChIKeyJYUBHNBLWWSMRQ-UHFFFAOYSA-N
MW495.49 g/mol
LogP3.33
Rot. Bonds8

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

6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid (PubChem CID 90232574) has the molecular formula C25H23F2N5O4 and a molecular weight of 495.49 g/mol. Its IUPAC name is 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
PubChem CID90232574
Molecular FormulaC25H23F2N5O4
Molecular Weight495.49 g/mol
Exact Mass495.17
IUPAC Name6-[2-amino-1-[[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)NC(CN)c3cccc(C(=O)O)n3)n2c1
InChIInChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-29-14(2)22(32(23)11-13)24(33)31-20(10-28)18-7-4-8-19(30-18)25(34)35/h3-9,11,20H,10,12,28H2,1-2H3,(H,31,33)(H,34,35)
InChIKeyJYUBHNBLWWSMRQ-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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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-1-[[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-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid (CID 90232574) is 6-[2-amino-1-[[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-[2-amino-1-[[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-[2-amino-1-[[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)NC(CN)c3cccc(C(=O)O)n3)n2c1.
What is the InChIKey of 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
The InChIKey is JYUBHNBLWWSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O4/c1-13-9-21(36-12-15-16(26)5-3-6-17(15)27)23-29-14(2)22(32(23)11-13)24(33)31-20(10-28)18-7-4-8-19(30-18)25(34)35/h3-9,11,20H,10,12,28H2,1-2H3,(H,31,33)(H,34,35).
What are the key properties of 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid?
6-[2-amino-1-[[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-[2-amino-1-[[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 90232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).