N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide

C25H24FN3O3 — CID 46943153

IUPACN-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
SMILESCCc1nc2c(OCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1ccccc1F
InChIInChI=1S/C25H24FN3O3/c1-4-21-24(28(2)25(30)19-11-5-6-12-20(19)26)29-14-8-13-22(23(29)27-21)32-16-17-9-7-10-18(15-17)31-3/h5-15H,4,16H2,1-3H3
InChIKeyPRXJRSNCKLXSCB-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.90
Rot. Bonds7

About N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide

N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide (PubChem CID 46943153) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
PubChem CID46943153
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
SMILESCCc1nc2c(OCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1ccccc1F
InChIInChI=1S/C25H24FN3O3/c1-4-21-24(28(2)25(30)19-11-5-6-12-20(19)26)29-14-8-13-22(23(29)27-21)32-16-17-9-7-10-18(15-17)31-3/h5-15H,4,16H2,1-3H3
InChIKeyPRXJRSNCKLXSCB-UHFFFAOYSA-N
XLogP4.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide (CID 46943153) is N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide is CCc1nc2c(OCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is PRXJRSNCKLXSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-4-21-24(28(2)25(30)19-11-5-6-12-20(19)26)29-14-8-13-22(23(29)27-21)32-16-17-9-7-10-18(15-17)31-3/h5-15H,4,16H2,1-3H3.
What are the key properties of N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide?
N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 433.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 46943153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).