5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

C26H21N3O5 — CID 145224036

IUPAC5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCOc1cc(C=O)cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1
InChIInChI=1S/C26H21N3O5/c1-31-23-10-16(15-30)14-29-25(23)24-12-21-26(34-24)20(4-7-28-21)17-2-3-22(18(11-17)13-27)33-19-5-8-32-9-6-19/h2-4,7,10-12,14-15,19H,5-6,8-9H2,1H3
InChIKeyKPFLJRXXTPALNK-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.81
Rot. Bonds6

About 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 145224036) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID145224036
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCOc1cc(C=O)cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1
InChIInChI=1S/C26H21N3O5/c1-31-23-10-16(15-30)14-29-25(23)24-12-21-26(34-24)20(4-7-28-21)17-2-3-22(18(11-17)13-27)33-19-5-8-32-9-6-19/h2-4,7,10-12,14-15,19H,5-6,8-9H2,1H3
InChIKeyKPFLJRXXTPALNK-UHFFFAOYSA-N
XLogP4.81
TPSA107.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-[5-[hydroxy(piperidin-1-yl)methyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 139538403
5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 134565872
5-[2-(4-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71679191
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 71680016
5-[2-[4-(aminomethoxymethyl)phenyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 123580017
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-[5-[hydroxy-[2-hydroxyethyl(methyl)amino]methyl]-3-methoxy-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 134565903
N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
CID 134565801
5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71664625
5-[2-[3-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71679359
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(2-pyridin-3-ylethyl)benzamide
CID 71678863
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide
CID 134565858

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (CID 145224036) is 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is COc1cc(C=O)cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.
What is the InChIKey of 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is KPFLJRXXTPALNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-31-23-10-16(15-30)14-29-25(23)24-12-21-26(34-24)20(4-7-28-21)17-2-3-22(18(11-17)13-27)33-19-5-8-32-9-6-19/h2-4,7,10-12,14-15,19H,5-6,8-9H2,1H3.
What are the key properties of 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 455.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 145224036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).