2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine

C25H23N3 — CID 71461760

IUPAC2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C25H23N3/c1-25(2,3)27-24-23(26-21-14-8-9-15-28(21)24)22-19-12-6-4-10-17(19)16-18-11-5-7-13-20(18)22/h4-16,27H,1-3H3
InChIKeyCXPWBKLAVYVWGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.52
Rot. Bonds2

About 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine

2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine (PubChem CID 71461760) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
PubChem CID71461760
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C25H23N3/c1-25(2,3)27-24-23(26-21-14-8-9-15-28(21)24)22-19-12-6-4-10-17(19)16-18-11-5-7-13-20(18)22/h4-16,27H,1-3H3
InChIKeyCXPWBKLAVYVWGI-UHFFFAOYSA-N
XLogP6.52
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine
CID 71460062
N-tert-butyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 809106
2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 71461780
2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
CID 71458200
N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 138535998
N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
CID 71452866
N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925450
N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 11603916
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chlorobenzenesulfonate
CID 3536356
N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925544
2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858021
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-bis(trifluoromethyl)benzoate
CID 4042450

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine (CID 71461760) is 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine is CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12.
What is the InChIKey of 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CXPWBKLAVYVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-25(2,3)27-24-23(26-21-14-8-9-15-28(21)24)22-19-12-6-4-10-17(19)16-18-11-5-7-13-20(18)22/h4-16,27H,1-3H3.
What are the key properties of 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine?
2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 365.48 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 71461760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).