6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole

C18H18N4 — CID 68915414

IUPAC6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESc1cc2ccc(-c3cncc(N4C[C@H]5CN[C@@H]5C4)c3)cc2[nH]1
InChIInChI=1S/C18H18N4/c1-2-13(6-17-12(1)3-4-20-17)14-5-16(9-19-7-14)22-10-15-8-21-18(15)11-22/h1-7,9,15,18,20-21H,8,10-11H2/t15-,18-/m1/s1
InChIKeyXDFJLADYSXSGJX-CRAIPNDOSA-N
MW290.37 g/mol
LogP2.64
Rot. Bonds2

About 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole

6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (PubChem CID 68915414) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
PubChem CID68915414
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESc1cc2ccc(-c3cncc(N4C[C@H]5CN[C@@H]5C4)c3)cc2[nH]1
InChIInChI=1S/C18H18N4/c1-2-13(6-17-12(1)3-4-20-17)14-5-16(9-19-7-14)22-10-15-8-21-18(15)11-22/h1-7,9,15,18,20-21H,8,10-11H2/t15-,18-/m1/s1
InChIKeyXDFJLADYSXSGJX-CRAIPNDOSA-N
XLogP2.64
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole 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

5-[5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole;bis(4-methylbenzenesulfonic acid)
CID 158751340
5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68917956
6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
CID 87621913
(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane
CID 143702557
6-pyridin-4-yl-1H-indole
CID 46315865
4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
5-(5-fluoro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 22647181
6-(3-chlorophenyl)-1H-indole
CID 22049229
6-(3,5-dimethylphenyl)-1H-indole
CID 169241911
6-(1H-pyrrol-3-yl)-1H-indole
CID 67416274
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 158843118

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The IUPAC name of 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (CID 68915414) is 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is c1cc2ccc(-c3cncc(N4C[C@H]5CN[C@@H]5C4)c3)cc2[nH]1.
What is the InChIKey of 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The InChIKey is XDFJLADYSXSGJX-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-13(6-17-12(1)3-4-20-17)14-5-16(9-19-7-14)22-10-15-8-21-18(15)11-22/h1-7,9,15,18,20-21H,8,10-11H2/t15-,18-/m1/s1.
What are the key properties of 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole has a molecular weight of 290.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 68915414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).