2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C20H24N6O2 — CID 91465116

IUPAC2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)[C@@H](N)C1CC2CC[C@H](C1)N2C(=O)c1cnccn1
InChIInChI=1S/C20H24N6O2/c21-9-15-5-11-8-17(11)26(15)20(28)18(22)12-6-13-1-2-14(7-12)25(13)19(27)16-10-23-3-4-24-16/h3-4,10-15,17-18H,1-2,5-8,22H2/t11?,12?,13-,14?,15?,17?,18+/m1/s1
InChIKeyFLJBQNQGEXYTGM-QPGNYDEYSA-N
MW380.45 g/mol
LogP0.70
Rot. Bonds3

About 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 91465116) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID91465116
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)[C@@H](N)C1CC2CC[C@H](C1)N2C(=O)c1cnccn1
InChIInChI=1S/C20H24N6O2/c21-9-15-5-11-8-17(11)26(15)20(28)18(22)12-6-13-1-2-14(7-12)25(13)19(27)16-10-23-3-4-24-16/h3-4,10-15,17-18H,1-2,5-8,22H2/t11?,12?,13-,14?,15?,17?,18+/m1/s1
InChIKeyFLJBQNQGEXYTGM-QPGNYDEYSA-N
XLogP0.70
TPSA116.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 91465116) is 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is N#CC1CC2CC2N1C(=O)[C@@H](N)C1CC2CC[C@H](C1)N2C(=O)c1cnccn1.
What is the InChIKey of 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is FLJBQNQGEXYTGM-QPGNYDEYSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-9-15-5-11-8-17(11)26(15)20(28)18(22)12-6-13-1-2-14(7-12)25(13)19(27)16-10-23-3-4-24-16/h3-4,10-15,17-18H,1-2,5-8,22H2/t11?,12?,13-,14?,15?,17?,18+/m1/s1.
What are the key properties of 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-2-[(5R)-8-(pyrazine-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 91465116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).