N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine

C29H28Cl2N6O — CID 164517093

IUPACN-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(Cn2cc(COc3ccc(-c4nc5ccccn5c4NC4CCCCC4)cc3)nn2)cc1Cl
InChIInChI=1S/C29H28Cl2N6O/c30-25-14-9-20(16-26(25)31)17-36-18-23(34-35-36)19-38-24-12-10-21(11-13-24)28-29(32-22-6-2-1-3-7-22)37-15-5-4-8-27(37)33-28/h4-5,8-16,18,22,32H,1-3,6-7,17,19H2
InChIKeyHTDFECQCNJDZSQ-UHFFFAOYSA-N
MW547.49 g/mol
LogP7.27
Rot. Bonds8

About N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 164517093) has the molecular formula C29H28Cl2N6O and a molecular weight of 547.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID164517093
Molecular FormulaC29H28Cl2N6O
Molecular Weight547.49 g/mol
Exact Mass546.17
IUPAC NameN-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(Cn2cc(COc3ccc(-c4nc5ccccn5c4NC4CCCCC4)cc3)nn2)cc1Cl
InChIInChI=1S/C29H28Cl2N6O/c30-25-14-9-20(16-26(25)31)17-36-18-23(34-35-36)19-38-24-12-10-21(11-13-24)28-29(32-22-6-2-1-3-7-22)37-15-5-4-8-27(37)33-28/h4-5,8-16,18,22,32H,1-3,6-7,17,19H2
InChIKeyHTDFECQCNJDZSQ-UHFFFAOYSA-N
XLogP7.27
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.49
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine (CID 164517093) is N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine is Clc1ccc(Cn2cc(COc3ccc(-c4nc5ccccn5c4NC4CCCCC4)cc3)nn2)cc1Cl.
What is the InChIKey of N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HTDFECQCNJDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N6O/c30-25-14-9-20(16-26(25)31)17-36-18-23(34-35-36)19-38-24-12-10-21(11-13-24)28-29(32-22-6-2-1-3-7-22)37-15-5-4-8-27(37)33-28/h4-5,8-16,18,22,32H,1-3,6-7,17,19H2.
What are the key properties of N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 547.49 g/mol, XLogP of 7.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).