6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C23H40N4 — CID 154546529

IUPAC6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCN1CC2CCC1CC2CN1C2CCC1C(CN1CCC3CCNC3C1)C2
InChIInChI=1S/C23H40N4/c1-25-12-17-2-3-20(25)10-18(17)14-27-21-4-5-23(27)19(11-21)13-26-9-7-16-6-8-24-22(16)15-26/h16-24H,2-15H2,1H3
InChIKeyFMWTUEVOMCLFQH-UHFFFAOYSA-N
MW372.60 g/mol
LogP2.25
Rot. Bonds4

About 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 154546529) has the molecular formula C23H40N4 and a molecular weight of 372.60 g/mol. Its IUPAC name is 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID154546529
Molecular FormulaC23H40N4
Molecular Weight372.60 g/mol
Exact Mass372.33
IUPAC Name6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCN1CC2CCC1CC2CN1C2CCC1C(CN1CCC3CCNC3C1)C2
InChIInChI=1S/C23H40N4/c1-25-12-17-2-3-20(25)10-18(17)14-27-21-4-5-23(27)19(11-21)13-26-9-7-16-6-8-24-22(16)15-26/h16-24H,2-15H2,1H3
InChIKeyFMWTUEVOMCLFQH-UHFFFAOYSA-N
XLogP2.25
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

9-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-3-N,3-N,6-N,6-N-tetracyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888500
5-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888513
N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperazin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888523
5-[4-[3,5-bis(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888537
7-Cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
CID 140888737
3,5-Bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)-4-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexane-1-carbonitrile
CID 140888792
8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-Dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 140888826
6-Methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 143582964
1,9,18,36-Tetrazanonacyclo[16.13.2.219,22.228,31.123,27.02,7.08,32.011,33.012,17]octatriacontane
CID 154011420
1,9,18,25-Tetrazanonacyclo[16.13.2.219,22.228,31.123,27.02,7.08,32.011,33.012,17]octatriacontane
CID 154011421
1,7-Dimethyl-1,4-diazonane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158308854
1,4-Dimethylazonane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158339532

Frequently Asked Questions

What is the IUPAC name of 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 154546529) is 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CN1CC2CCC1CC2CN1C2CCC1C(CN1CCC3CCNC3C1)C2.
What is the InChIKey of 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is FMWTUEVOMCLFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4/c1-25-12-17-2-3-20(25)10-18(17)14-27-21-4-5-23(27)19(11-21)13-26-9-7-16-6-8-24-22(16)15-26/h16-24H,2-15H2,1H3.
What are the key properties of 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 372.60 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 154546529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).