(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine

C24H22F2N4O — CID 59239004

IUPAC(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C24H22F2N4O/c25-13-1-3-20-16(9-13)18-11-19-17-10-14(26)2-4-21(17)29-23(19)24(22(18)28-20)31-8-7-30-6-5-15(27)12-30/h1-4,9-11,15,28-29H,5-8,12,27H2/t15-/m0/s1
InChIKeyLOTMIHPSEFTBPO-HNNXBMFYSA-N
MW420.46 g/mol
LogP4.65
Rot. Bonds4

About (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine

(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine (PubChem CID 59239004) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine
PubChem CID59239004
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C24H22F2N4O/c25-13-1-3-20-16(9-13)18-11-19-17-10-14(26)2-4-21(17)29-23(19)24(22(18)28-20)31-8-7-30-6-5-15(27)12-30/h1-4,9-11,15,28-29H,5-8,12,27H2/t15-/m0/s1
InChIKeyLOTMIHPSEFTBPO-HNNXBMFYSA-N
XLogP4.65
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine (CID 59239004) is (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine is N[C@H]1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1.
What is the InChIKey of (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine?
The InChIKey is LOTMIHPSEFTBPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c25-13-1-3-20-16(9-13)18-11-19-17-10-14(26)2-4-21(17)29-23(19)24(22(18)28-20)31-8-7-30-6-5-15(27)12-30/h1-4,9-11,15,28-29H,5-8,12,27H2/t15-/m0/s1.
What are the key properties of (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine?
(3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine has a molecular weight of 420.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 59239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).