N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C23H19ClFN3O — CID 53036593

IUPACN-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15-5-7-16(8-6-15)23-20(28-13-3-2-4-21(28)27-23)11-12-22(29)26-19-10-9-17(25)14-18(19)24/h2-10,13-14H,11-12H2,1H3,(H,26,29)
InChIKeyZLBOVHMJQJWPFD-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.67
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 53036593) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID53036593
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15-5-7-16(8-6-15)23-20(28-13-3-2-4-21(28)27-23)11-12-22(29)26-19-10-9-17(25)14-18(19)24/h2-10,13-14H,11-12H2,1H3,(H,26,29)
InChIKeyZLBOVHMJQJWPFD-UHFFFAOYSA-N
XLogP5.67
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)propanamide
CID 53118621
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
N-(4-ethylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036519
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-fluorophenyl)propanamide
CID 53036649
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
CID 53118553

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 53036593) is N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is ZLBOVHMJQJWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-15-5-7-16(8-6-15)23-20(28-13-3-2-4-21(28)27-23)11-12-22(29)26-19-10-9-17(25)14-18(19)24/h2-10,13-14H,11-12H2,1H3,(H,26,29).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 407.88 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 53036593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).