4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile

C25H22N4O — CID 171512494

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H22N4O/c1-28-10-12-29(13-11-28)22-8-6-19(7-9-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-18(15-26)3-5-20/h2-9,14,16-17H,10-13H2,1H3
InChIKeyVRTGHGVZWQMTLF-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.79
Rot. Bonds3

About 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile

4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile (PubChem CID 171512494) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
PubChem CID171512494
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H22N4O/c1-28-10-12-29(13-11-28)22-8-6-19(7-9-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-18(15-26)3-5-20/h2-9,14,16-17H,10-13H2,1H3
InChIKeyVRTGHGVZWQMTLF-UHFFFAOYSA-N
XLogP4.79
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile (CID 171512494) is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile is CN1CCN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)coc4c3)cc2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile?
The InChIKey is VRTGHGVZWQMTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-28-10-12-29(13-11-28)22-8-6-19(7-9-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-18(15-26)3-5-20/h2-9,14,16-17H,10-13H2,1H3.
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile?
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile has a molecular weight of 394.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 171512494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).