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

C28H34N4O2 — CID 137409211

IUPACN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C28H34N4O2/c1-4-33-24-13-10-21(11-14-24)12-15-25-28(29-23-8-6-5-7-9-23)32-17-16-22(18-26(32)30-25)27-19(2)31-34-20(27)3/h10-11,13-14,16-18,23,29H,4-9,12,15H2,1-3H3
InChIKeyAYYCXCROSXTBJD-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.53
Rot. Bonds8

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

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 137409211) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID137409211
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C28H34N4O2/c1-4-33-24-13-10-21(11-14-24)12-15-25-28(29-23-8-6-5-7-9-23)32-17-16-22(18-26(32)30-25)27-19(2)31-34-20(27)3/h10-11,13-14,16-18,23,29H,4-9,12,15H2,1-3H3
InChIKeyAYYCXCROSXTBJD-UHFFFAOYSA-N
XLogP6.53
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (CID 137409211) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is CCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is AYYCXCROSXTBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-4-33-24-13-10-21(11-14-24)12-15-25-28(29-23-8-6-5-7-9-23)32-17-16-22(18-26(32)30-25)27-19(2)31-34-20(27)3/h10-11,13-14,16-18,23,29H,4-9,12,15H2,1-3H3.
What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 458.61 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 137409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).