5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile

C25H24N2O3 — CID 159373963

IUPAC5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3c2C=C(C2=CCOCC2)C3)ccc1OC1CCOCC1
InChIInChI=1S/C25H24N2O3/c26-16-20-13-18(1-2-25(20)30-21-6-11-29-12-7-21)22-3-8-27-24-15-19(14-23(22)24)17-4-9-28-10-5-17/h1-4,8,13-14,21H,5-7,9-12,15H2
InChIKeyZQWAJXOWDUVGNZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.46
Rot. Bonds4

About 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 159373963) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID159373963
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3c2C=C(C2=CCOCC2)C3)ccc1OC1CCOCC1
InChIInChI=1S/C25H24N2O3/c26-16-20-13-18(1-2-25(20)30-21-6-11-29-12-7-21)22-3-8-27-24-15-19(14-23(22)24)17-4-9-28-10-5-17/h1-4,8,13-14,21H,5-7,9-12,15H2
InChIKeyZQWAJXOWDUVGNZ-UHFFFAOYSA-N
XLogP4.46
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118537627
5-[6-(4-morpholin-4-ylphenyl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxetan-3-yloxy)benzonitrile
CID 118552169
tert-butyl 4-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-7H-cyclopenta[b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile
CID 161095654
benzenethiol;5-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 144973270
2-(oxan-4-yloxy)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 118537365
methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile
CID 159158464
5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile
CID 159534314
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
5-[2-(4-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71679191
5-[2-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 123223380
5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118537675
2-(oxan-4-yloxy)-5-[2-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile
CID 118551900

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 159373963) is 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc3c2C=C(C2=CCOCC2)C3)ccc1OC1CCOCC1.
What is the InChIKey of 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is ZQWAJXOWDUVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c26-16-20-13-18(1-2-25(20)30-21-6-11-29-12-7-21)22-3-8-27-24-15-19(14-23(22)24)17-4-9-28-10-5-17/h1-4,8,13-14,21H,5-7,9-12,15H2.
What are the key properties of 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 400.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,6-dihydro-2H-pyran-4-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 159373963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).