4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

C24H27FN6O2 — CID 137366170

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1
InChIInChI=1S/C24H27FN6O2/c1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16/h4-7,12-14H,8-11,26H2,1-3H3,(H,27,32)
InChIKeyMGWYFGPUMROUFZ-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.66
Rot. Bonds8

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 137366170) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID137366170
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1
InChIInChI=1S/C24H27FN6O2/c1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16/h4-7,12-14H,8-11,26H2,1-3H3,(H,27,32)
InChIKeyMGWYFGPUMROUFZ-UHFFFAOYSA-N
XLogP2.66
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.66
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]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 137366170) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is MGWYFGPUMROUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-12-17(25)5-6-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16/h4-7,12-14H,8-11,26H2,1-3H3,(H,27,32).
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.66, 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]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137366170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).