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

C25H29FN6O2 — CID 137366125

IUPAC4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)NC)nn(C)c3C)cn12
InChIInChI=1S/C25H29FN6O2/c1-16-20(24(25(33)28-3)30-31(16)4)10-12-34-22-13-18(26)6-7-21(22)17-5-8-23-29-14-19(9-11-27-2)32(23)15-17/h5-8,13-15,27H,9-12H2,1-4H3,(H,28,33)
InChIKeyQQODXXKFPUAJJW-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.93
Rot. Bonds9

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

4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 137366125) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID137366125
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)NC)nn(C)c3C)cn12
InChIInChI=1S/C25H29FN6O2/c1-16-20(24(25(33)28-3)30-31(16)4)10-12-34-22-13-18(26)6-7-21(22)17-5-8-23-29-14-19(9-11-27-2)32(23)15-17/h5-8,13-15,27H,9-12H2,1-4H3,(H,28,33)
InChIKeyQQODXXKFPUAJJW-UHFFFAOYSA-N
XLogP2.93
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.93
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]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 137366125) is 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is CNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)NC)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]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is QQODXXKFPUAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-16-20(24(25(33)28-3)30-31(16)4)10-12-34-22-13-18(26)6-7-21(22)17-5-8-23-29-14-19(9-11-27-2)32(23)15-17/h5-8,13-15,27H,9-12H2,1-4H3,(H,28,33).
What are the key properties of 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 2.93, 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]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137366125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).