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

C29H36N4O2 — CID 157254059

IUPACN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C29H36N4O2/c1-4-18-34-25-13-10-22(11-14-25)12-15-26-29(30-24-8-6-5-7-9-24)33-17-16-23(19-27(33)31-26)28-20(2)32-35-21(28)3/h10-11,13-14,16-17,19,24,30H,4-9,12,15,18H2,1-3H3
InChIKeyAWRGIDCPPODFCD-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.92
Rot. Bonds9

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

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 157254059) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)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-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID157254059
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C29H36N4O2/c1-4-18-34-25-13-10-22(11-14-25)12-15-26-29(30-24-8-6-5-7-9-24)33-17-16-23(19-27(33)31-26)28-20(2)32-35-21(28)3/h10-11,13-14,16-17,19,24,30H,4-9,12,15,18H2,1-3H3
InChIKeyAWRGIDCPPODFCD-UHFFFAOYSA-N
XLogP6.92
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.92
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-propoxyphenyl)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-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (CID 157254059) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)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-propoxyphenyl)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-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is CCCOc1ccc(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-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is AWRGIDCPPODFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-4-18-34-25-13-10-22(11-14-25)12-15-26-29(30-24-8-6-5-7-9-24)33-17-16-23(19-27(33)31-26)28-20(2)32-35-21(28)3/h10-11,13-14,16-17,19,24,30H,4-9,12,15,18H2,1-3H3.
What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 472.63 g/mol, XLogP of 6.92, 9 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-propoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 157254059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).