N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

C30H33FN4O4 — CID 70818019

IUPACN-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccc(OC)c(F)c4)cn23)cc1C
InChIInChI=1S/C30H33FN4O4/c1-4-32-30(36)24-7-5-21(13-19(24)2)27-17-34-29-26(33-16-20-9-11-38-12-10-20)15-23(18-35(27)29)39-22-6-8-28(37-3)25(31)14-22/h5-8,13-15,17-18,20,33H,4,9-12,16H2,1-3H3,(H,32,36)
InChIKeyZVIVSTICUMYHGV-UHFFFAOYSA-N
MW532.62 g/mol
LogP5.84
Rot. Bonds9

About N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 70818019) has the molecular formula C30H33FN4O4 and a molecular weight of 532.62 g/mol. Its IUPAC name is N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID70818019
Molecular FormulaC30H33FN4O4
Molecular Weight532.62 g/mol
Exact Mass532.25
IUPAC NameN-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccc(OC)c(F)c4)cn23)cc1C
InChIInChI=1S/C30H33FN4O4/c1-4-32-30(36)24-7-5-21(13-19(24)2)27-17-34-29-26(33-16-20-9-11-38-12-10-20)15-23(18-35(27)29)39-22-6-8-28(37-3)25(31)14-22/h5-8,13-15,17-18,20,33H,4,9-12,16H2,1-3H3,(H,32,36)
InChIKeyZVIVSTICUMYHGV-UHFFFAOYSA-N
XLogP5.84
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 70818019) is N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is CCNC(=O)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Oc4ccc(OC)c(F)c4)cn23)cc1C.
What is the InChIKey of N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is ZVIVSTICUMYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O4/c1-4-32-30(36)24-7-5-21(13-19(24)2)27-17-34-29-26(33-16-20-9-11-38-12-10-20)15-23(18-35(27)29)39-22-6-8-28(37-3)25(31)14-22/h5-8,13-15,17-18,20,33H,4,9-12,16H2,1-3H3,(H,32,36).
What are the key properties of N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 532.62 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 70818019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).