7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C25H21Cl2N3O2 — CID 170019165

IUPAC7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cn2ccnc2cc1Oc1cccc(C2CC2)c1
InChIInChI=1S/C25H21Cl2N3O2/c26-19-7-6-17(22(27)13-19)8-9-29-25(31)21-15-30-11-10-28-24(30)14-23(21)32-20-3-1-2-18(12-20)16-4-5-16/h1-3,6-7,10-16H,4-5,8-9H2,(H,29,31)
InChIKeyNZKJRPZPUXJUFX-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.28
Rot. Bonds7

About 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 170019165) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID170019165
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cn2ccnc2cc1Oc1cccc(C2CC2)c1
InChIInChI=1S/C25H21Cl2N3O2/c26-19-7-6-17(22(27)13-19)8-9-29-25(31)21-15-30-11-10-28-24(30)14-23(21)32-20-3-1-2-18(12-20)16-4-5-16/h1-3,6-7,10-16H,4-5,8-9H2,(H,29,31)
InChIKeyNZKJRPZPUXJUFX-UHFFFAOYSA-N
XLogP6.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 170019167
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfonylpyrimidine-4-carboxamide
CID 175980310
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide
CID 171612271
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
CID 170633492
N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 170019165) is 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cn2ccnc2cc1Oc1cccc(C2CC2)c1.
What is the InChIKey of 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NZKJRPZPUXJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c26-19-7-6-17(22(27)13-19)8-9-29-25(31)21-15-30-11-10-28-24(30)14-23(21)32-20-3-1-2-18(12-20)16-4-5-16/h1-3,6-7,10-16H,4-5,8-9H2,(H,29,31).
What are the key properties of 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 170019165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).