2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole

C24H21F2N3O — CID 70812255

IUPAC2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(CN2CCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H21F2N3O/c1-30-24-22-20(15-10-13(25)4-6-18(15)27-22)17(12-29-8-2-3-9-29)21-16-11-14(26)5-7-19(16)28-23(21)24/h4-7,10-11,27-28H,2-3,8-9,12H2,1H3
InChIKeyRIWBJSNEGFLDHJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.84
Rot. Bonds3

About 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 70812255) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID70812255
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(CN2CCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H21F2N3O/c1-30-24-22-20(15-10-13(25)4-6-18(15)27-22)17(12-29-8-2-3-9-29)21-16-11-14(26)5-7-19(16)28-23(21)24/h4-7,10-11,27-28H,2-3,8-9,12H2,1H3
InChIKeyRIWBJSNEGFLDHJ-UHFFFAOYSA-N
XLogP5.84
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole (CID 70812255) is 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole is COc1c2[nH]c3ccc(F)cc3c2c(CN2CCCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is RIWBJSNEGFLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-30-24-22-20(15-10-13(25)4-6-18(15)27-22)17(12-29-8-2-3-9-29)21-16-11-14(26)5-7-19(16)28-23(21)24/h4-7,10-11,27-28H,2-3,8-9,12H2,1H3.
What are the key properties of 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 405.45 g/mol, XLogP of 5.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-methoxy-12-(pyrrolidin-1-ylmethyl)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 70812255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).