N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide

C28H25F2N5O — CID 71666816

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C28H25F2N5O/c1-34(2)11-10-32-28(36)23-7-6-19(14-24(23)29)21-15-25(30)27-33-16-22(35(27)17-21)13-18-5-8-26-20(12-18)4-3-9-31-26/h3-9,12,14-17H,10-11,13H2,1-2H3,(H,32,36)
InChIKeyUEDJSQIMMXLAAI-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.71
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 71666816) has the molecular formula C28H25F2N5O and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID71666816
Molecular FormulaC28H25F2N5O
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C28H25F2N5O/c1-34(2)11-10-32-28(36)23-7-6-19(14-24(23)29)21-15-25(30)27-33-16-22(35(27)17-21)13-18-5-8-26-20(12-18)4-3-9-31-26/h3-9,12,14-17H,10-11,13H2,1-2H3,(H,32,36)
InChIKeyUEDJSQIMMXLAAI-UHFFFAOYSA-N
XLogP4.71
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 71666816) is N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is UEDJSQIMMXLAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O/c1-34(2)11-10-32-28(36)23-7-6-19(14-24(23)29)21-15-25(30)27-33-16-22(35(27)17-21)13-18-5-8-26-20(12-18)4-3-9-31-26/h3-9,12,14-17H,10-11,13H2,1-2H3,(H,32,36).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 71666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).