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

C30H34N4O — CID 146589044

IUPACN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C30H34N4O/c1-19-28(20(2)35-33-19)25-10-11-34-27(15-25)31-26(9-8-21-6-4-3-5-7-21)29(34)32-30-16-22-12-23(17-30)14-24(13-22)18-30/h3-7,10-11,15,22-24,32H,8-9,12-14,16-18H2,1-2H3
InChIKeyVKLALWPAQHCINZ-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.77
Rot. Bonds6

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

N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 146589044) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID146589044
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC NameN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C30H34N4O/c1-19-28(20(2)35-33-19)25-10-11-34-27(15-25)31-26(9-8-21-6-4-3-5-7-21)29(34)32-30-16-22-12-23(17-30)14-24(13-22)18-30/h3-7,10-11,15,22-24,32H,8-9,12-14,16-18H2,1-2H3
InChIKeyVKLALWPAQHCINZ-UHFFFAOYSA-N
XLogP6.77
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 146589044) is N-(1-adamantyl)-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-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1.
What is the InChIKey of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VKLALWPAQHCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-19-28(20(2)35-33-19)25-10-11-34-27(15-25)31-26(9-8-21-6-4-3-5-7-21)29(34)32-30-16-22-12-23(17-30)14-24(13-22)18-30/h3-7,10-11,15,22-24,32H,8-9,12-14,16-18H2,1-2H3.
What are the key properties of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 466.63 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 146589044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).