4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

C27H26N4 — CID 130331359

IUPAC4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCN1CCC(Cc2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C27H26N4/c1-30-14-12-21(13-15-30)16-20-2-6-23(7-3-20)25-10-11-27-29-18-26(31(27)19-25)24-8-4-22(17-28)5-9-24/h2-11,18-19,21H,12-16H2,1H3
InChIKeyXTZHBUKZJHKQKT-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.42
Rot. Bonds4

About 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 130331359) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID130331359
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC Name4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCN1CCC(Cc2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C27H26N4/c1-30-14-12-21(13-15-30)16-20-2-6-23(7-3-20)25-10-11-27-29-18-26(31(27)19-25)24-8-4-22(17-28)5-9-24/h2-11,18-19,21H,12-16H2,1H3
InChIKeyXTZHBUKZJHKQKT-UHFFFAOYSA-N
XLogP5.42
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 130331359) is 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is CN1CCC(Cc2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.
What is the InChIKey of 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is XTZHBUKZJHKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-30-14-12-21(13-15-30)16-20-2-6-23(7-3-20)25-10-11-27-29-18-26(31(27)19-25)24-8-4-22(17-28)5-9-24/h2-11,18-19,21H,12-16H2,1H3.
What are the key properties of 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 406.53 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 130331359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).