2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine

C24H16BrN5 — CID 177484137

IUPAC2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2cc3c([nH]c4ccccc43)c(-c3ccc(Br)cc3)n2)nc2ccccn12
InChIInChI=1S/C24H16BrN5/c25-15-10-8-14(9-11-15)21-22-17(16-5-1-2-6-18(16)27-22)13-19(28-21)23-24(26)30-12-4-3-7-20(30)29-23/h1-13,27H,26H2
InChIKeyZJNQTIWAVQORMV-UHFFFAOYSA-N
MW454.33 g/mol
LogP6.04
Rot. Bonds2

About 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine

2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 177484137) has the molecular formula C24H16BrN5 and a molecular weight of 454.33 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID177484137
Molecular FormulaC24H16BrN5
Molecular Weight454.33 g/mol
Exact Mass453.06
IUPAC Name2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2cc3c([nH]c4ccccc43)c(-c3ccc(Br)cc3)n2)nc2ccccn12
InChIInChI=1S/C24H16BrN5/c25-15-10-8-14(9-11-15)21-22-17(16-5-1-2-6-18(16)27-22)13-19(28-21)23-24(26)30-12-4-3-7-20(30)29-23/h1-13,27H,26H2
InChIKeyZJNQTIWAVQORMV-UHFFFAOYSA-N
XLogP6.04
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
CID 101486334
2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
CID 71458200
2-(4-bromophenyl)-3-fluoroimidazo[1,2-a]pyridine
CID 133059378
2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617916
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
2-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618084
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114385734
2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 138039813
2,20-bis(4-bromophenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 136688369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine (CID 177484137) is 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine is Nc1c(-c2cc3c([nH]c4ccccc43)c(-c3ccc(Br)cc3)n2)nc2ccccn12.
What is the InChIKey of 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZJNQTIWAVQORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN5/c25-15-10-8-14(9-11-15)21-22-17(16-5-1-2-6-18(16)27-22)13-19(28-21)23-24(26)30-12-4-3-7-20(30)29-23/h1-13,27H,26H2.
What are the key properties of 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine?
2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 454.33 g/mol, XLogP of 6.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 177484137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).