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

C19H20N4 — CID 68917956

IUPAC5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@H]2CN(c3cncc(-c4ccc5[nH]ccc5c4)c3)C[C@@H]21
InChIInChI=1S/C19H20N4/c1-22-10-16-11-23(12-19(16)22)17-7-15(8-20-9-17)13-2-3-18-14(6-13)4-5-21-18/h2-9,16,19,21H,10-12H2,1H3/t16-,19-/m0/s1
InChIKeyBQINBAYTRRYGEK-LPHOPBHVSA-N
MW304.40 g/mol
LogP2.98
Rot. Bonds2

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

5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (PubChem CID 68917956) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
PubChem CID68917956
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@H]2CN(c3cncc(-c4ccc5[nH]ccc5c4)c3)C[C@@H]21
InChIInChI=1S/C19H20N4/c1-22-10-16-11-23(12-19(16)22)17-7-15(8-20-9-17)13-2-3-18-14(6-13)4-5-21-18/h2-9,16,19,21H,10-12H2,1H3/t16-,19-/m0/s1
InChIKeyBQINBAYTRRYGEK-LPHOPBHVSA-N
XLogP2.98
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[5-[(1S,5R)-6-methyl-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

4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 158843118
6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68915414
5-[5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole;bis(4-methylbenzenesulfonic acid)
CID 158751340
[5-[(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]boronic acid
CID 68917929
5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole
CID 57467065
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
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide
CID 117094210
5-(4-tert-butylphenyl)-1H-indole
CID 16768580

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The IUPAC name of 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (CID 68917956) is 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is CN1C[C@H]2CN(c3cncc(-c4ccc5[nH]ccc5c4)c3)C[C@@H]21.
What is the InChIKey of 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The InChIKey is BQINBAYTRRYGEK-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-10-16-11-23(12-19(16)22)17-7-15(8-20-9-17)13-2-3-18-14(6-13)4-5-21-18/h2-9,16,19,21H,10-12H2,1H3/t16-,19-/m0/s1.
What are the key properties of 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole has a molecular weight of 304.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 68917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).