2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

C25H18F2N4O2 — CID 122179446

IUPAC2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(C(O)c4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C25H18F2N4O2/c1-28-25(33)18-6-4-14(10-19(18)26)17-11-20(27)24-30-12-22(31(24)13-17)23(32)16-5-7-21-15(9-16)3-2-8-29-21/h2-13,23,32H,1H3,(H,28,33)
InChIKeyAVVOLSWNEQLJMC-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.27
Rot. Bonds4

About 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide

2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 122179446) has the molecular formula C25H18F2N4O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID122179446
Molecular FormulaC25H18F2N4O2
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC Name2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(F)c3ncc(C(O)c4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C25H18F2N4O2/c1-28-25(33)18-6-4-14(10-19(18)26)17-11-20(27)24-30-12-22(31(24)13-17)23(32)16-5-7-21-15(9-16)3-2-8-29-21/h2-13,23,32H,1H3,(H,28,33)
InChIKeyAVVOLSWNEQLJMC-UHFFFAOYSA-N
XLogP4.27
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide (CID 122179446) is 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(F)c3ncc(C(O)c4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is AVVOLSWNEQLJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2/c1-28-25(33)18-6-4-14(10-19(18)26)17-11-20(27)24-30-12-22(31(24)13-17)23(32)16-5-7-21-15(9-16)3-2-8-29-21/h2-13,23,32H,1H3,(H,28,33).
What are the key properties of 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide?
2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 444.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-fluoro-3-[hydroxy(quinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 122179446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).