4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole

C19H20N4 — CID 42610313

IUPAC4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2CN(c3cncc(-c4cccc5[nH]ccc45)c3)C[C@@H]21
InChIInChI=1S/C19H20N4/c1-22-10-14-11-23(12-19(14)22)15-7-13(8-20-9-15)16-3-2-4-18-17(16)5-6-21-18/h2-9,14,19,21H,10-12H2,1H3/t14-,19+/m1/s1
InChIKeyUDSIKNZRAFEINB-KUHUBIRLSA-N
MW304.40 g/mol
LogP2.98
Rot. Bonds2

About 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole

4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (PubChem CID 42610313) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
PubChem CID42610313
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2CN(c3cncc(-c4cccc5[nH]ccc45)c3)C[C@@H]21
InChIInChI=1S/C19H20N4/c1-22-10-14-11-23(12-19(14)22)15-7-13(8-20-9-15)16-3-2-4-18-17(16)5-6-21-18/h2-9,14,19,21H,10-12H2,1H3/t14-,19+/m1/s1
InChIKeyUDSIKNZRAFEINB-KUHUBIRLSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The IUPAC name of 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole (CID 42610313) is 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is CN1C[C@@H]2CN(c3cncc(-c4cccc5[nH]ccc45)c3)C[C@@H]21.
What is the InChIKey of 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
The InChIKey is UDSIKNZRAFEINB-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-10-14-11-23(12-19(14)22)15-7-13(8-20-9-15)16-3-2-4-18-17(16)5-6-21-18/h2-9,14,19,21H,10-12H2,1H3/t14-,19+/m1/s1.
What are the key properties of 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole?
4-[5-[(1R,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 4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 42610313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).