3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C26H23N5O — CID 159606207

IUPAC3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCCOc1ccc2c(c1)C(c1ccnc(N3CC4C(C3)C4(C#N)c3ccccn3)c1)=NC2
InChIInChI=1S/C26H23N5O/c1-2-32-19-7-6-18-13-30-25(20(18)12-19)17-8-10-29-24(11-17)31-14-21-22(15-31)26(21,16-27)23-5-3-4-9-28-23/h3-12,21-22H,2,13-15H2,1H3
InChIKeyMMCNFNVWFRIETC-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.75
Rot. Bonds5

About 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 159606207) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID159606207
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCCOc1ccc2c(c1)C(c1ccnc(N3CC4C(C3)C4(C#N)c3ccccn3)c1)=NC2
InChIInChI=1S/C26H23N5O/c1-2-32-19-7-6-18-13-30-25(20(18)12-19)17-8-10-29-24(11-17)31-14-21-22(15-31)26(21,16-27)23-5-3-4-9-28-23/h3-12,21-22H,2,13-15H2,1H3
InChIKeyMMCNFNVWFRIETC-UHFFFAOYSA-N
XLogP3.75
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile with MolForge

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Related Compounds

3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
(2S,3S,4S)-2-methyl-1-[4-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 159262084
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 147343969

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 159606207) is 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is CCOc1ccc2c(c1)C(c1ccnc(N3CC4C(C3)C4(C#N)c3ccccn3)c1)=NC2.
What is the InChIKey of 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is MMCNFNVWFRIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-2-32-19-7-6-18-13-30-25(20(18)12-19)17-8-10-29-24(11-17)31-14-21-22(15-31)26(21,16-27)23-5-3-4-9-28-23/h3-12,21-22H,2,13-15H2,1H3.
What are the key properties of 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 421.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 159606207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).