2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole

C22H15F2N5O — CID 59239038

IUPAC2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C22H15F2N5O/c23-12-1-3-18-14(7-12)16-9-17-15-8-13(24)2-4-19(15)28-21(17)22(20(16)27-18)30-6-5-29-11-25-10-26-29/h1-4,7-11,27-28H,5-6H2
InChIKeyVCIPWNYJAMELQC-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.90
Rot. Bonds4

About 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59239038) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59239038
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(OCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C22H15F2N5O/c23-12-1-3-18-14(7-12)16-9-17-15-8-13(24)2-4-19(15)28-21(17)22(20(16)27-18)30-6-5-29-11-25-10-26-29/h1-4,7-11,27-28H,5-6H2
InChIKeyVCIPWNYJAMELQC-UHFFFAOYSA-N
XLogP4.90
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,10-difluoro-6-[5-(1,2,4-triazol-1-yl)pentoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59238980
1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
CID 59238974
(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine
CID 59238912
3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propan-1-amine;2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 158336425
1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 59238935
N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 59238916
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 59238879
2-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1-iodoguanidine
CID 143960033
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
CID 59238886
2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59239007
1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole
CID 54322529
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867

Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole (CID 59239038) is 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole is Fc1ccc2[nH]c3c(OCCn4cncn4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is VCIPWNYJAMELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c23-12-1-3-18-14(7-12)16-9-17-15-8-13(24)2-4-19(15)28-21(17)22(20(16)27-18)30-6-5-29-11-25-10-26-29/h1-4,7-11,27-28H,5-6H2.
What are the key properties of 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 403.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59239038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).