N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol

C80H79F6N11O4 — CID 88962022

IUPACN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol
SMILESCN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2.Fc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.OC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C29H30F2N4O.C26H26F2N4O.C25H23F2N3O2/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29;27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17;26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-7-30-8-6-16(31)13-30/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3;2-5,12-14,17,29-32H,1,6-11H2;2-5,10-12,16,28-29,31H,1,6-9,13H2
InChIKeyAWXYFFSCFQLMGZ-UHFFFAOYSA-N
MW1372.57 g/mol
LogP16.63
Rot. Bonds17

About N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol

N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol (PubChem CID 88962022) has the molecular formula C80H79F6N11O4 and a molecular weight of 1372.57 g/mol. Its IUPAC name is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol.

Molecular Properties

Compound NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol
PubChem CID88962022
Molecular FormulaC80H79F6N11O4
Molecular Weight1372.57 g/mol
Exact Mass1371.62
IUPAC NameN-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol
SMILESCN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2.Fc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.OC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1
InChIInChI=1S/C29H30F2N4O.C26H26F2N4O.C25H23F2N3O2/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29;27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17;26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-7-30-8-6-16(31)13-30/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3;2-5,12-14,17,29-32H,1,6-11H2;2-5,10-12,16,28-29,31H,1,6-9,13H2
InChIKeyAWXYFFSCFQLMGZ-UHFFFAOYSA-N
XLogP16.63
TPSA185.23 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.57
LogP ≤ 516.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol?
The IUPAC name of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol (CID 88962022) is N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol.
What is the SMILES notation for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol?
The canonical SMILES for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol is CN1C2CCC1CC(NCCCOc1c3[nH]c4ccc(F)cc4c3cc3c1[nH]c1ccc(F)cc13)C2.Fc1ccc2[nH]c3c(OCCCNC4CCNCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.OC1CCN(CCCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)C1.
What is the InChIKey of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol?
The InChIKey is AWXYFFSCFQLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O.C26H26F2N4O.C25H23F2N3O2/c1-35-19-5-6-20(35)14-18(13-19)32-9-2-10-36-29-27-23(21-11-16(30)3-7-25(21)33-27)15-24-22-12-17(31)4-8-26(22)34-28(24)29;27-15-2-4-22-18(12-15)20-14-21-19-13-16(28)3-5-23(19)32-25(21)26(24(20)31-22)33-11-1-8-30-17-6-9-29-10-7-17;26-14-2-4-21-17(10-14)19-12-20-18-11-15(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-7-30-8-6-16(31)13-30/h3-4,7-8,11-12,15,18-20,32-34H,2,5-6,9-10,13-14H2,1H3;2-5,12-14,17,29-32H,1,6-11H2;2-5,10-12,16,28-29,31H,1,6-9,13H2.
What are the key properties of N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol?
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol has a molecular weight of 1372.57 g/mol, XLogP of 16.63, 17 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine;N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine;1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-ol is sourced from PubChem (CID 88962022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).