4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole

C19H20N4 — CID 46891012

IUPAC4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)cn1
InChIInChI=1S/C19H20N4/c1-22-11-15-9-14(22)12-23(15)19-6-5-13(10-21-19)16-3-2-4-18-17(16)7-8-20-18/h2-8,10,14-15,20H,9,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyCIUHWQDJGXODPO-GJZGRUSLSA-N
MW304.40 g/mol
LogP3.12
Rot. Bonds2

About 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole

4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole (PubChem CID 46891012) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
PubChem CID46891012
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)cn1
InChIInChI=1S/C19H20N4/c1-22-11-15-9-14(22)12-23(15)19-6-5-13(10-21-19)16-3-2-4-18-17(16)7-8-20-18/h2-8,10,14-15,20H,9,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyCIUHWQDJGXODPO-GJZGRUSLSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
The IUPAC name of 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole (CID 46891012) is 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole.
What is the SMILES notation for 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
The canonical SMILES for 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole is CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccc3[nH]ccc23)cn1.
What is the InChIKey of 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
The InChIKey is CIUHWQDJGXODPO-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-11-15-9-14(22)12-23(15)19-6-5-13(10-21-19)16-3-2-4-18-17(16)7-8-20-18/h2-8,10,14-15,20H,9,11-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole?
4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole has a molecular weight of 304.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-indole is sourced from PubChem (CID 46891012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).