2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide

C24H21ClFN3O2 — CID 3587956

IUPAC2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
SMILESCc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H21ClFN3O2/c1-15-12-13-29-20(14-15)27-21(16-4-8-18(26)9-5-16)22(29)28-23(30)24(2,3)31-19-10-6-17(25)7-11-19/h4-14H,1-3H3,(H,28,30)
InChIKeyLHGOYNUKJIOHSH-UHFFFAOYSA-N
MW437.90 g/mol
LogP5.90
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide (PubChem CID 3587956) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
PubChem CID3587956
Molecular FormulaC24H21ClFN3O2
Molecular Weight437.90 g/mol
Exact Mass437.13
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
SMILESCc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H21ClFN3O2/c1-15-12-13-29-20(14-15)27-21(16-4-8-18(26)9-5-16)22(29)28-23(30)24(2,3)31-19-10-6-17(25)7-11-19/h4-14H,1-3H3,(H,28,30)
InChIKeyLHGOYNUKJIOHSH-UHFFFAOYSA-N
XLogP5.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.90
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide (CID 3587956) is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide is Cc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide?
The InChIKey is LHGOYNUKJIOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c1-15-12-13-29-20(14-15)27-21(16-4-8-18(26)9-5-16)22(29)28-23(30)24(2,3)31-19-10-6-17(25)7-11-19/h4-14H,1-3H3,(H,28,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide has a molecular weight of 437.90 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 3587956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).