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

C23H24FN5O3 — CID 137365880

IUPAC4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12
InChIInChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-26-12-17(11-25-2)29(21)13-15/h4-7,10,12-13,25H,8-9,11H2,1-3H3,(H,30,31)
InChIKeyMBXOQSBYJGTGRF-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.22
Rot. Bonds8

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

4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137365880) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID137365880
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12
InChIInChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-26-12-17(11-25-2)29(21)13-15/h4-7,10,12-13,25H,8-9,11H2,1-3H3,(H,30,31)
InChIKeyMBXOQSBYJGTGRF-UHFFFAOYSA-N
XLogP3.22
TPSA93.68 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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137365880) is 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12.
What is the InChIKey of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is MBXOQSBYJGTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-18(22(23(30)31)27-28(14)3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-26-12-17(11-25-2)29(21)13-15/h4-7,10,12-13,25H,8-9,11H2,1-3H3,(H,30,31).
What are the key properties of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 437.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 137365880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).