N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H22FN3O3 — CID 159513812

IUPACN-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CC1CCC(O)CC1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C22H22FN3O3/c23-17-9-6-15(20(28)11-14-4-7-16(27)8-5-14)12-18(17)25-22(29)19-13-24-21-3-1-2-10-26(19)21/h1-3,6,9-10,12-14,16,27H,4-5,7-8,11H2,(H,25,29)
InChIKeyMAXUEELIJGMOMW-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.85
Rot. Bonds5

About N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159513812) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID159513812
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CC1CCC(O)CC1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C22H22FN3O3/c23-17-9-6-15(20(28)11-14-4-7-16(27)8-5-14)12-18(17)25-22(29)19-13-24-21-3-1-2-10-26(19)21/h1-3,6,9-10,12-14,16,27H,4-5,7-8,11H2,(H,25,29)
InChIKeyMAXUEELIJGMOMW-UHFFFAOYSA-N
XLogP3.85
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 159513812) is N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(CC1CCC(O)CC1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MAXUEELIJGMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-9-6-15(20(28)11-14-4-7-16(27)8-5-14)12-18(17)25-22(29)19-13-24-21-3-1-2-10-26(19)21/h1-3,6,9-10,12-14,16,27H,4-5,7-8,11H2,(H,25,29).
What are the key properties of N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159513812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).