N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine

C27H26N4 — CID 69319926

IUPACN-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCCC3)c(-c3ccc(C#Cc4ccccn4)cc3)nc12
InChIInChI=1S/C27H26N4/c1-20-8-7-19-31-26(20)30-25(27(31)29-24-10-3-2-4-11-24)22-15-12-21(13-16-22)14-17-23-9-5-6-18-28-23/h5-9,12-13,15-16,18-19,24,29H,2-4,10-11H2,1H3
InChIKeyREHFFMPNAXDQNR-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.85
Rot. Bonds3

About N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 69319926) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID69319926
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC NameN-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCCC3)c(-c3ccc(C#Cc4ccccn4)cc3)nc12
InChIInChI=1S/C27H26N4/c1-20-8-7-19-31-26(20)30-25(27(31)29-24-10-3-2-4-11-24)22-15-12-21(13-16-22)14-17-23-9-5-6-18-28-23/h5-9,12-13,15-16,18-19,24,29H,2-4,10-11H2,1H3
InChIKeyREHFFMPNAXDQNR-UHFFFAOYSA-N
XLogP5.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 69319926) is N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine is Cc1cccn2c(NC3CCCCC3)c(-c3ccc(C#Cc4ccccn4)cc3)nc12.
What is the InChIKey of N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is REHFFMPNAXDQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-20-8-7-19-31-26(20)30-25(27(31)29-24-10-3-2-4-11-24)22-15-12-21(13-16-22)14-17-23-9-5-6-18-28-23/h5-9,12-13,15-16,18-19,24,29H,2-4,10-11H2,1H3.
What are the key properties of N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 406.53 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-methyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69319926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).