N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

C23H21ClFN3 — CID 122177348

IUPACN-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H21ClFN3/c1-23(2,3)27-22-21(16-4-9-18(24)10-5-16)26-20-13-8-17(14-28(20)22)15-6-11-19(25)12-7-15/h4-14,27H,1-3H3
InChIKeyXBGJERFBEGXUOQ-UHFFFAOYSA-N
MW393.89 g/mol
LogP6.67
Rot. Bonds3

About N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 122177348) has the molecular formula C23H21ClFN3 and a molecular weight of 393.89 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID122177348
Molecular FormulaC23H21ClFN3
Molecular Weight393.89 g/mol
Exact Mass393.14
IUPAC NameN-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H21ClFN3/c1-23(2,3)27-22-21(16-4-9-18(24)10-5-16)26-20-13-8-17(14-28(20)22)15-6-11-19(25)12-7-15/h4-14,27H,1-3H3
InChIKeyXBGJERFBEGXUOQ-UHFFFAOYSA-N
XLogP6.67
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.89
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Saripidem
CID 3058746
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
Eapb-0203
CID 24779760
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 122177348) is N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XBGJERFBEGXUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3/c1-23(2,3)27-22-21(16-4-9-18(24)10-5-16)26-20-13-8-17(14-28(20)22)15-6-11-19(25)12-7-15/h4-14,27H,1-3H3.
What are the key properties of N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 393.89 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 122177348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).