2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole

C23H20F2N4O — CID 45139205

IUPAC2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(N2CCNCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H20F2N4O/c1-30-23-20-18(14-10-12(24)2-4-16(14)27-20)22(29-8-6-26-7-9-29)19-15-11-13(25)3-5-17(15)28-21(19)23/h2-5,10-11,26-28H,6-9H2,1H3
InChIKeyGPBWPWVINTXYBC-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.65
Rot. Bonds2

About 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 45139205) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID45139205
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(N2CCNCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H20F2N4O/c1-30-23-20-18(14-10-12(24)2-4-16(14)27-20)22(29-8-6-26-7-9-29)19-15-11-13(25)3-5-17(15)28-21(19)23/h2-5,10-11,26-28H,6-9H2,1H3
InChIKeyGPBWPWVINTXYBC-UHFFFAOYSA-N
XLogP4.65
TPSA56.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole (CID 45139205) is 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole is COc1c2[nH]c3ccc(F)cc3c2c(N2CCNCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is GPBWPWVINTXYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-30-23-20-18(14-10-12(24)2-4-16(14)27-20)22(29-8-6-26-7-9-29)19-15-11-13(25)3-5-17(15)28-21(19)23/h2-5,10-11,26-28H,6-9H2,1H3.
What are the key properties of 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 406.44 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 45139205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).