3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile

C20H19N5O — CID 167350539

IUPAC3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1O[C@H]1C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H19N5O/c1-11-20(26-18-7-13-5-6-16(18)25-13)23-10-17(24-11)15-9-22-19-12(8-21)3-2-4-14(15)19/h2-4,9-10,13,16,18,22,25H,5-7H2,1H3/t13-,16+,18-/m0/s1
InChIKeyRHLPAACZLWKISH-XCRHUMRWSA-N
MW345.41 g/mol
LogP3.08
Rot. Bonds3

About 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile

3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile (PubChem CID 167350539) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile
PubChem CID167350539
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1O[C@H]1C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H19N5O/c1-11-20(26-18-7-13-5-6-16(18)25-13)23-10-17(24-11)15-9-22-19-12(8-21)3-2-4-14(15)19/h2-4,9-10,13,16,18,22,25H,5-7H2,1H3/t13-,16+,18-/m0/s1
InChIKeyRHLPAACZLWKISH-XCRHUMRWSA-N
XLogP3.08
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile 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

[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite
CID 170365417
3-[6-ethyl-5-(1-iodopyrrolidin-3-yl)oxypyrazin-2-yl]-1H-indole-7-carbonitrile
CID 170365334
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350661
tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 167350834
3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 175417583
3-[5-amino-6-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350794
3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350931
3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
CID 165172486
3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167351121
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 175858861
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
CID 176569727
2-methyl-6-(7-methyl-1H-indol-3-yl)pyridin-3-ol
CID 162628575

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile (CID 167350539) is 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile is Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1O[C@H]1C[C@@H]2CC[C@H]1N2.
What is the InChIKey of 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile?
The InChIKey is RHLPAACZLWKISH-XCRHUMRWSA-N. The full InChI is InChI=1S/C20H19N5O/c1-11-20(26-18-7-13-5-6-16(18)25-13)23-10-17(24-11)15-9-22-19-12(8-21)3-2-4-14(15)19/h2-4,9-10,13,16,18,22,25H,5-7H2,1H3/t13-,16+,18-/m0/s1.
What are the key properties of 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile?
3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 167350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).