3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide

C24H31N3O — CID 42694073

IUPAC3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C24H31N3O/c1-16-7-9-19(10-8-16)22-23(27-12-11-17(2)13-20(27)25-22)26-21(28)14-18(3)15-24(4,5)6/h7-13,18H,14-15H2,1-6H3,(H,26,28)
InChIKeyAYEUODNDTNFPHA-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.02
Rot. Bonds5

About 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide

3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide (PubChem CID 42694073) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide
PubChem CID42694073
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C24H31N3O/c1-16-7-9-19(10-8-16)22-23(27-12-11-17(2)13-20(27)25-22)26-21(28)14-18(3)15-24(4,5)6/h7-13,18H,14-15H2,1-6H3,(H,26,28)
InChIKeyAYEUODNDTNFPHA-UHFFFAOYSA-N
XLogP6.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide (CID 42694073) is 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide is Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CC(C)CC(C)(C)C)cc1.
What is the InChIKey of 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The InChIKey is AYEUODNDTNFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-16-7-9-19(10-8-16)22-23(27-12-11-17(2)13-20(27)25-22)26-21(28)14-18(3)15-24(4,5)6/h7-13,18H,14-15H2,1-6H3,(H,26,28).
What are the key properties of 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide has a molecular weight of 377.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]hexanamide is sourced from PubChem (CID 42694073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).