N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

C29H30N4O — CID 164615879

IUPACN-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc12
InChIInChI=1S/C29H30N4O/c1-20-25-14-13-22(18-27(25)34-32-20)23-16-17-33-28(19-23)31-26(15-12-21-8-4-2-5-9-21)29(33)30-24-10-6-3-7-11-24/h2,4-5,8-9,13-14,16-19,24,30H,3,6-7,10-12,15H2,1H3
InChIKeyBYPCCNYNZXFPIJ-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.98
Rot. Bonds6

About N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 164615879) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID164615879
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc12
InChIInChI=1S/C29H30N4O/c1-20-25-14-13-22(18-27(25)34-32-20)23-16-17-33-28(19-23)31-26(15-12-21-8-4-2-5-9-21)29(33)30-24-10-6-3-7-11-24/h2,4-5,8-9,13-14,16-19,24,30H,3,6-7,10-12,15H2,1H3
InChIKeyBYPCCNYNZXFPIJ-UHFFFAOYSA-N
XLogP6.98
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.98
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-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 164615879) is N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1noc2cc(-c3ccn4c(NC5CCCCC5)c(CCc5ccccc5)nc4c3)ccc12.
What is the InChIKey of N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BYPCCNYNZXFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-20-25-14-13-22(18-27(25)34-32-20)23-16-17-33-28(19-23)31-26(15-12-21-8-4-2-5-9-21)29(33)30-24-10-6-3-7-11-24/h2,4-5,8-9,13-14,16-19,24,30H,3,6-7,10-12,15H2,1H3.
What are the key properties of N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 450.59 g/mol, XLogP of 6.98, 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-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164615879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).