4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C25H29FN6O2 — CID 137366067

IUPAC4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)nn(C)c3C)cn12
InChIInChI=1S/C25H29FN6O2/c1-16-20(24(29-31(16)5)25(33)30(3)4)10-11-34-22-12-18(26)7-8-21(22)17-6-9-23-28-14-19(13-27-2)32(23)15-17/h6-9,12,14-15,27H,10-11,13H2,1-5H3
InChIKeyYFMWOQFKHRXYAY-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.23
Rot. Bonds8

About 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 137366067) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID137366067
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)nn(C)c3C)cn12
InChIInChI=1S/C25H29FN6O2/c1-16-20(24(29-31(16)5)25(33)30(3)4)10-11-34-22-12-18(26)7-8-21(22)17-6-9-23-28-14-19(13-27-2)32(23)15-17/h6-9,12,14-15,27H,10-11,13H2,1-5H3
InChIKeyYFMWOQFKHRXYAY-UHFFFAOYSA-N
XLogP3.23
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
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]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 137366067) is 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide is CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)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]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is YFMWOQFKHRXYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-16-20(24(29-31(16)5)25(33)30(3)4)10-11-34-22-12-18(26)7-8-21(22)17-6-9-23-28-14-19(13-27-2)32(23)15-17/h6-9,12,14-15,27H,10-11,13H2,1-5H3.
What are the key properties of 4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 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]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 137366067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).