2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole

C22H17F2N3O — CID 59238882

IUPAC2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C22H17F2N3O/c23-11-1-3-18-14(7-11)16-9-17-15-8-12(24)2-4-19(15)27-21(17)22(20(16)26-18)28-13-5-6-25-10-13/h1-4,7-9,13,25-27H,5-6,10H2/t13-/m0/s1
InChIKeyTZIRXCFTUSWHQX-ZDUSSCGKSA-N
MW377.39 g/mol
LogP4.97
Rot. Bonds2

About 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238882) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238882
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole
SMILESFc1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C22H17F2N3O/c23-11-1-3-18-14(7-11)16-9-17-15-8-12(24)2-4-19(15)27-21(17)22(20(16)26-18)28-13-5-6-25-10-13/h1-4,7-9,13,25-27H,5-6,10H2/t13-/m0/s1
InChIKeyTZIRXCFTUSWHQX-ZDUSSCGKSA-N
XLogP4.97
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole (CID 59238882) is 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole is Fc1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is TZIRXCFTUSWHQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-11-1-3-18-14(7-11)16-9-17-15-8-12(24)2-4-19(15)27-21(17)22(20(16)26-18)28-13-5-6-25-10-13/h1-4,7-9,13,25-27H,5-6,10H2/t13-/m0/s1.
What are the key properties of 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 377.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).