(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane

C24H30N4 — CID 164641183

IUPAC(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
SMILESCCn1ccc2cc(CN3C[C@@H]4CC[C@H]3CN(Cc3ccccn3)C4)ccc21
InChIInChI=1S/C24H30N4/c1-2-27-12-10-21-13-19(7-9-24(21)27)15-28-16-20-6-8-23(28)18-26(14-20)17-22-5-3-4-11-25-22/h3-5,7,9-13,20,23H,2,6,8,14-18H2,1H3/t20-,23+/m1/s1
InChIKeyCDHIDBBCADXADB-OFNKIYASSA-N
MW374.53 g/mol
LogP4.15
Rot. Bonds5

About (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane

(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 164641183) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
PubChem CID164641183
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
SMILESCCn1ccc2cc(CN3C[C@@H]4CC[C@H]3CN(Cc3ccccn3)C4)ccc21
InChIInChI=1S/C24H30N4/c1-2-27-12-10-21-13-19(7-9-24(21)27)15-28-16-20-6-8-23(28)18-26(14-20)17-22-5-3-4-11-25-22/h3-5,7,9-13,20,23H,2,6,8,14-18H2,1H3/t20-,23+/m1/s1
InChIKeyCDHIDBBCADXADB-OFNKIYASSA-N
XLogP4.15
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-6-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72884472
(1R,5S)-6-[(3-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133134963
2-ethyl-4-[[(1R,5S)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3-thiazole
CID 164631173
2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 133125689
2-methyl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
CID 72838979
(1S,5R)-6-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72852497
4-methyl-5-[[(1R,5S)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
CID 155557256
(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72891861
(1S,5R)-3-(3-methoxypropyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72921867
4-propan-2-yl-5-[[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]thiadiazole
CID 72917478
(1S,5R)-3-benzyl-6-[(5-ethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72892585
(1S,5R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70719751

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane (CID 164641183) is (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane is CCn1ccc2cc(CN3C[C@@H]4CC[C@H]3CN(Cc3ccccn3)C4)ccc21.
What is the InChIKey of (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is CDHIDBBCADXADB-OFNKIYASSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-27-12-10-21-13-19(7-9-24(21)27)15-28-16-20-6-8-23(28)18-26(14-20)17-22-5-3-4-11-25-22/h3-5,7,9-13,20,23H,2,6,8,14-18H2,1H3/t20-,23+/m1/s1.
What are the key properties of (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane?
(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 374.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 164641183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).