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

C26H30N4O2 — CID 146589317

IUPACN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(Cc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C26H30N4O2/c1-17-25(18(2)32-29-17)20-13-14-30-24(16-20)28-23(15-19-9-11-22(31-3)12-10-19)26(30)27-21-7-5-4-6-8-21/h9-14,16,21,27H,4-8,15H2,1-3H3
InChIKeyWLQHDQWZFZLQMZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.95
Rot. Bonds6

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

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 146589317) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID146589317
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(Cc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C26H30N4O2/c1-17-25(18(2)32-29-17)20-13-14-30-24(16-20)28-23(15-19-9-11-22(31-3)12-10-19)26(30)27-21-7-5-4-6-8-21/h9-14,16,21,27H,4-8,15H2,1-3H3
InChIKeyWLQHDQWZFZLQMZ-UHFFFAOYSA-N
XLogP5.95
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.95
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-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine (CID 146589317) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc(Cc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WLQHDQWZFZLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-25(18(2)32-29-17)20-13-14-30-24(16-20)28-23(15-19-9-11-22(31-3)12-10-19)26(30)27-21-7-5-4-6-8-21/h9-14,16,21,27H,4-8,15H2,1-3H3.
What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 430.55 g/mol, XLogP of 5.95, 6 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-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 146589317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).