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

C24H26FN5O3 — CID 137365986

IUPAC4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12
InChIInChI=1S/C24H26FN5O3/c1-15-19(23(24(31)32)28-29(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-27-13-18(8-10-26-2)30(22)14-16/h4-7,12-14,26H,8-11H2,1-3H3,(H,31,32)
InChIKeyDRIYRHKMQSLPLN-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.26
Rot. Bonds9

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

4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137365986) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID137365986
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12
InChIInChI=1S/C24H26FN5O3/c1-15-19(23(24(31)32)28-29(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-27-13-18(8-10-26-2)30(22)14-16/h4-7,12-14,26H,8-11H2,1-3H3,(H,31,32)
InChIKeyDRIYRHKMQSLPLN-UHFFFAOYSA-N
XLogP3.26
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.26
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-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137365986) is 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is CNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)O)nn(C)c3C)cn12.
What is the InChIKey of 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is DRIYRHKMQSLPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-15-19(23(24(31)32)28-29(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-27-13-18(8-10-26-2)30(22)14-16/h4-7,12-14,26H,8-11H2,1-3H3,(H,31,32).
What are the key properties of 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 451.50 g/mol, XLogP of 3.26, 9 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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 137365986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).