2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline

C25H21N5 — CID 122690853

IUPAC2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline
SMILESCCn1ccc2cc(-c3cccc4nc(N5CCc6ccncc65)cnc34)ccc21
InChIInChI=1S/C25H21N5/c1-2-29-12-9-19-14-18(6-7-22(19)29)20-4-3-5-21-25(20)27-16-24(28-21)30-13-10-17-8-11-26-15-23(17)30/h3-9,11-12,14-16H,2,10,13H2,1H3
InChIKeyGSZCLZNPCPURHD-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.36
Rot. Bonds3

About 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline

2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline (PubChem CID 122690853) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline.

Molecular Properties

Compound Name2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline
PubChem CID122690853
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline
SMILESCCn1ccc2cc(-c3cccc4nc(N5CCc6ccncc65)cnc34)ccc21
InChIInChI=1S/C25H21N5/c1-2-29-12-9-19-14-18(6-7-22(19)29)20-4-3-5-21-25(20)27-16-24(28-21)30-13-10-17-8-11-26-15-23(17)30/h3-9,11-12,14-16H,2,10,13H2,1H3
InChIKeyGSZCLZNPCPURHD-UHFFFAOYSA-N
XLogP5.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
CGS 12066B-parent
CID 2689
Florquinitau
CID 118577045
Panulisib
CID 56947515
NS-2710
CID 9863520
Bag-956
CID 24882589
Urmc-099
CID 54764565
Baquiloprim
CID 9861430
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
N,12-dimethyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9813880
N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9900652

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline?
The IUPAC name of 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline (CID 122690853) is 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline.
What is the SMILES notation for 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline?
The canonical SMILES for 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline is CCn1ccc2cc(-c3cccc4nc(N5CCc6ccncc65)cnc34)ccc21.
What is the InChIKey of 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline?
The InChIKey is GSZCLZNPCPURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c1-2-29-12-9-19-14-18(6-7-22(19)29)20-4-3-5-21-25(20)27-16-24(28-21)30-13-10-17-8-11-26-15-23(17)30/h3-9,11-12,14-16H,2,10,13H2,1H3.
What are the key properties of 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline?
2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline has a molecular weight of 391.48 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-5-(1-ethylindol-5-yl)quinoxaline is sourced from PubChem (CID 122690853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).