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

C26H30N4O — CID 137409199

IUPACN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H30N4O/c1-18-25(19(2)31-29-18)21-15-16-30-24(17-21)28-23(14-13-20-9-5-3-6-10-20)26(30)27-22-11-7-4-8-12-22/h3,5-6,9-10,15-17,22,27H,4,7-8,11-14H2,1-2H3
InChIKeyOBPYYXZKNCKVSZ-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.14
Rot. Bonds6

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

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 137409199) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID137409199
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H30N4O/c1-18-25(19(2)31-29-18)21-15-16-30-24(17-21)28-23(14-13-20-9-5-3-6-10-20)26(30)27-22-11-7-4-8-12-22/h3,5-6,9-10,15-17,22,27H,4,7-8,11-14H2,1-2H3
InChIKeyOBPYYXZKNCKVSZ-UHFFFAOYSA-N
XLogP6.14
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 137409199) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)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-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1.
What is the InChIKey of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is OBPYYXZKNCKVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-18-25(19(2)31-29-18)21-15-16-30-24(17-21)28-23(14-13-20-9-5-3-6-10-20)26(30)27-22-11-7-4-8-12-22/h3,5-6,9-10,15-17,22,27H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 414.55 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 137409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).