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

C26H31FN6O2 — CID 137366093

IUPAC4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)nn(C)c3C)cn12
InChIInChI=1S/C26H31FN6O2/c1-17-21(25(30-32(17)5)26(34)31(3)4)11-13-35-23-14-19(27)7-8-22(23)18-6-9-24-29-15-20(10-12-28-2)33(24)16-18/h6-9,14-16,28H,10-13H2,1-5H3
InChIKeyHHZYYJQOFNHHGQ-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.27
Rot. Bonds9

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

4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 137366093) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 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,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID137366093
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)nn(C)c3C)cn12
InChIInChI=1S/C26H31FN6O2/c1-17-21(25(30-32(17)5)26(34)31(3)4)11-13-35-23-14-19(27)7-8-22(23)18-6-9-24-29-15-20(10-12-28-2)33(24)16-18/h6-9,14-16,28H,10-13H2,1-5H3
InChIKeyHHZYYJQOFNHHGQ-UHFFFAOYSA-N
XLogP3.27
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.27
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-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 137366093) is 4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide is CNCCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(=O)N(C)C)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,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is HHZYYJQOFNHHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-17-21(25(30-32(17)5)26(34)31(3)4)11-13-35-23-14-19(27)7-8-22(23)18-6-9-24-29-15-20(10-12-28-2)33(24)16-18/h6-9,14-16,28H,10-13H2,1-5H3.
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,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.27, 9 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-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 137366093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).