1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine

C25H24F2N4O — CID 59238990

IUPAC1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine
SMILESNC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C25H24F2N4O/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)30-24(20)25(23(19)29-21)32-10-9-31-7-5-16(28)6-8-31/h1-4,11-13,16,29-30H,5-10,28H2
InChIKeyMCQRTZFUQUDLIC-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.04
Rot. Bonds4

About 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine

1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine (PubChem CID 59238990) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine
PubChem CID59238990
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine
SMILESNC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C25H24F2N4O/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)30-24(20)25(23(19)29-21)32-10-9-31-7-5-16(28)6-8-31/h1-4,11-13,16,29-30H,5-10,28H2
InChIKeyMCQRTZFUQUDLIC-UHFFFAOYSA-N
XLogP5.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine (CID 59238990) is 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine is NC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1.
What is the InChIKey of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine?
The InChIKey is MCQRTZFUQUDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)30-24(20)25(23(19)29-21)32-10-9-31-7-5-16(28)6-8-31/h1-4,11-13,16,29-30H,5-10,28H2.
What are the key properties of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine?
1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine has a molecular weight of 434.49 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 59238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).