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

C28H34N4O2 — CID 137409169

IUPACN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C28H34N4O2/c1-19-27(20(2)34-31-19)22-16-17-32-26(18-22)30-25(28(32)29-23-9-5-4-6-10-23)11-7-8-21-12-14-24(33-3)15-13-21/h12-18,23,29H,4-11H2,1-3H3
InChIKeyWXPMEUHQDXJHAB-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.53
Rot. Bonds8

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

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 137409169) 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-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID137409169
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C28H34N4O2/c1-19-27(20(2)34-31-19)22-16-17-32-26(18-22)30-25(28(32)29-23-9-5-4-6-10-23)11-7-8-21-12-14-24(33-3)15-13-21/h12-18,23,29H,4-11H2,1-3H3
InChIKeyWXPMEUHQDXJHAB-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-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine (CID 137409169) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]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-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WXPMEUHQDXJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-19-27(20(2)34-31-19)22-16-17-32-26(18-22)30-25(28(32)29-23-9-5-4-6-10-23)11-7-8-21-12-14-24(33-3)15-13-21/h12-18,23,29H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]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-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 137409169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).