4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

C23H24FN5O3 — CID 137366167

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-11-16(24)4-5-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h3-6,11-13H,7-10,25H2,1-2H3,(H,30,31)
InChIKeyTYPCNZXHFYBIDR-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.00
Rot. Bonds8

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137366167) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID137366167
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-11-16(24)4-5-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h3-6,11-13H,7-10,25H2,1-2H3,(H,30,31)
InChIKeyTYPCNZXHFYBIDR-UHFFFAOYSA-N
XLogP3.00
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137366167) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is TYPCNZXHFYBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-11-16(24)4-5-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h3-6,11-13H,7-10,25H2,1-2H3,(H,30,31).
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 437.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 137366167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).