2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine

C29H17BrF2N6O — CID 52953336

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn23)cc1
InChIInChI=1S/C29H17BrF2N6O/c30-18-4-11-24-22(13-18)23(14-33-24)26-27(34-21-9-7-20(32)8-10-21)38-15-17(3-12-25(38)35-26)29-37-36-28(39-29)16-1-5-19(31)6-2-16/h1-15,33-34H
InChIKeyDBHJFKFJCDNEQZ-UHFFFAOYSA-N
MW583.40 g/mol
LogP7.98
Rot. Bonds5

About 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine

2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 52953336) has the molecular formula C29H17BrF2N6O and a molecular weight of 583.40 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID52953336
Molecular FormulaC29H17BrF2N6O
Molecular Weight583.40 g/mol
Exact Mass582.06
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn23)cc1
InChIInChI=1S/C29H17BrF2N6O/c30-18-4-11-24-22(13-18)23(14-33-24)26-27(34-21-9-7-20(32)8-10-21)38-15-17(3-12-25(38)35-26)29-37-36-28(39-29)16-1-5-19(31)6-2-16/h1-15,33-34H
InChIKeyDBHJFKFJCDNEQZ-UHFFFAOYSA-N
XLogP7.98
TPSA84.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.40
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 52953336) is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is DBHJFKFJCDNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17BrF2N6O/c30-18-4-11-24-22(13-18)23(14-33-24)26-27(34-21-9-7-20(32)8-10-21)38-15-17(3-12-25(38)35-26)29-37-36-28(39-29)16-1-5-19(31)6-2-16/h1-15,33-34H.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 583.40 g/mol, XLogP of 7.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 52953336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).