N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide

C23H19F2N3O — CID 42694713

IUPACN-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
SMILESCc1ccn2c(NC(=O)CCc3ccccc3)c(-c3cccc(F)c3F)nc2c1
InChIInChI=1S/C23H19F2N3O/c1-15-12-13-28-19(14-15)26-22(17-8-5-9-18(24)21(17)25)23(28)27-20(29)11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,27,29)
InChIKeyRIUAPUZQXZGWFM-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.16
Rot. Bonds5

About N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide

N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide (PubChem CID 42694713) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
PubChem CID42694713
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC NameN-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide
SMILESCc1ccn2c(NC(=O)CCc3ccccc3)c(-c3cccc(F)c3F)nc2c1
InChIInChI=1S/C23H19F2N3O/c1-15-12-13-28-19(14-15)26-22(17-8-5-9-18(24)21(17)25)23(28)27-20(29)11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,27,29)
InChIKeyRIUAPUZQXZGWFM-UHFFFAOYSA-N
XLogP5.16
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide (CID 42694713) is N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide is Cc1ccn2c(NC(=O)CCc3ccccc3)c(-c3cccc(F)c3F)nc2c1.
What is the InChIKey of N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
The InChIKey is RIUAPUZQXZGWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-15-12-13-28-19(14-15)26-22(17-8-5-9-18(24)21(17)25)23(28)27-20(29)11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,27,29).
What are the key properties of N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide?
N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide has a molecular weight of 391.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 42694713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).