4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile

C14H14FIN4 — CID 167881010

IUPAC4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1(F)CCN(Cc2cccn3c(I)cnc23)CC1
InChIInChI=1S/C14H14FIN4/c15-14(10-17)3-6-19(7-4-14)9-11-2-1-5-20-12(16)8-18-13(11)20/h1-2,5,8H,3-4,6-7,9H2
InChIKeyIDPJKLJOUZUOAH-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.77
Rot. Bonds2

About 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile

4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile (PubChem CID 167881010) has the molecular formula C14H14FIN4 and a molecular weight of 384.20 g/mol. Its IUPAC name is 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile
PubChem CID167881010
Molecular FormulaC14H14FIN4
Molecular Weight384.20 g/mol
Exact Mass384.02
IUPAC Name4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1(F)CCN(Cc2cccn3c(I)cnc23)CC1
InChIInChI=1S/C14H14FIN4/c15-14(10-17)3-6-19(7-4-14)9-11-2-1-5-20-12(16)8-18-13(11)20/h1-2,5,8H,3-4,6-7,9H2
InChIKeyIDPJKLJOUZUOAH-UHFFFAOYSA-N
XLogP2.77
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 146596485
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol
CID 167903552
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
2-[2-[(4-cyano-4-methylsulfanylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462352
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 104792132
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
1-[2-(3-chloroimidazo[1,2-a]pyridin-8-yl)ethyl]cyclopropan-1-amine
CID 105497319
1-[(2-cyano-5-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994118
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile (CID 167881010) is 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile is N#CC1(F)CCN(Cc2cccn3c(I)cnc23)CC1.
What is the InChIKey of 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile?
The InChIKey is IDPJKLJOUZUOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN4/c15-14(10-17)3-6-19(7-4-14)9-11-2-1-5-20-12(16)8-18-13(11)20/h1-2,5,8H,3-4,6-7,9H2.
What are the key properties of 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile?
4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile has a molecular weight of 384.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 167881010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).