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

C23H19Cl2N3O — CID 59238891

IUPAC2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OC[C@@H]4CCCN4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C23H19Cl2N3O/c24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)28-22(18)23(21(17)27-19)29-11-14-2-1-7-26-14/h3-6,8-10,14,26-28H,1-2,7,11H2/t14-/m0/s1
InChIKeyBDLTYUFELCMBET-AWEZNQCLSA-N
MW424.33 g/mol
LogP6.39
Rot. Bonds3

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

2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238891) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238891
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC Name2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OC[C@@H]4CCCN4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C23H19Cl2N3O/c24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)28-22(18)23(21(17)27-19)29-11-14-2-1-7-26-14/h3-6,8-10,14,26-28H,1-2,7,11H2/t14-/m0/s1
InChIKeyBDLTYUFELCMBET-AWEZNQCLSA-N
XLogP6.39
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
CID 103289558
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
CID 117230301
2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59239007
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618

Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole (CID 59238891) is 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole is Clc1ccc2[nH]c3c(OC[C@@H]4CCCN4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1.
What is the InChIKey of 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is BDLTYUFELCMBET-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)28-22(18)23(21(17)27-19)29-11-14-2-1-7-26-14/h3-6,8-10,14,26-28H,1-2,7,11H2/t14-/m0/s1.
What are the key properties of 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole?
2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 424.33 g/mol, XLogP of 6.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).