N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine

C28H34N4O3 — CID 164628694

IUPACN-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1OC
InChIInChI=1S/C28H34N4O3/c1-18-27(19(2)35-31-18)21-14-15-32-26(17-21)30-23(28(32)29-22-8-6-5-7-9-22)12-10-20-11-13-24(33-3)25(16-20)34-4/h11,13-17,22,29H,5-10,12H2,1-4H3
InChIKeyLLQORKQXLLCXHC-UHFFFAOYSA-N
MW474.61 g/mol
LogP6.15
Rot. Bonds8

About N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 164628694) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID164628694
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1OC
InChIInChI=1S/C28H34N4O3/c1-18-27(19(2)35-31-18)21-14-15-32-26(17-21)30-23(28(32)29-22-8-6-5-7-9-22)12-10-20-11-13-24(33-3)25(16-20)34-4/h11,13-17,22,29H,5-10,12H2,1-4H3
InChIKeyLLQORKQXLLCXHC-UHFFFAOYSA-N
XLogP6.15
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine (CID 164628694) is N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is LLQORKQXLLCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-18-27(19(2)35-31-18)21-14-15-32-26(17-21)30-23(28(32)29-22-8-6-5-7-9-22)12-10-20-11-13-24(33-3)25(16-20)34-4/h11,13-17,22,29H,5-10,12H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 474.61 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164628694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).