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

C30H19BrF2N6 — CID 52953298

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1
InChIInChI=1S/C30H19BrF2N6/c31-19-4-11-25-23(13-19)24(14-34-25)28-30(36-22-9-7-21(33)8-10-22)39-16-18(3-12-27(39)38-28)29-35-15-26(37-29)17-1-5-20(32)6-2-17/h1-16,34,36H,(H,35,37)
InChIKeyRTLBINOQAMWQMJ-UHFFFAOYSA-N
MW581.42 g/mol
LogP8.32
Rot. Bonds5

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

2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 52953298) has the molecular formula C30H19BrF2N6 and a molecular weight of 581.42 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-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)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID52953298
Molecular FormulaC30H19BrF2N6
Molecular Weight581.42 g/mol
Exact Mass580.08
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1
InChIInChI=1S/C30H19BrF2N6/c31-19-4-11-25-23(13-19)24(14-34-25)28-30(36-22-9-7-21(33)8-10-22)39-16-18(3-12-27(39)38-28)29-35-15-26(37-29)17-1-5-20(32)6-2-17/h1-16,34,36H,(H,35,37)
InChIKeyRTLBINOQAMWQMJ-UHFFFAOYSA-N
XLogP8.32
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.42
LogP ≤ 58.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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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)-1H-imidazol-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)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 52953298) is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-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)-1H-imidazol-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)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is RTLBINOQAMWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrF2N6/c31-19-4-11-25-23(13-19)24(14-34-25)28-30(36-22-9-7-21(33)8-10-22)39-16-18(3-12-27(39)38-28)29-35-15-26(37-29)17-1-5-20(32)6-2-17/h1-16,34,36H,(H,35,37).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 581.42 g/mol, XLogP of 8.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 52953298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).