4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile

C22H24FN5O2 — CID 156811140

IUPAC4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
SMILESCN1CCC(F)CC1.COc1ccc(-n2c(CC#N)nc3cc(C=O)cnc32)cc1
InChIInChI=1S/C16H12N4O2.C6H12FN/c1-22-13-4-2-12(3-5-13)20-15(6-7-17)19-14-8-11(10-21)9-18-16(14)20;1-8-4-2-6(7)3-5-8/h2-5,8-10H,6H2,1H3;6H,2-5H2,1H3
InChIKeyWVYAOCSODGQNOU-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.36
Rot. Bonds4

About 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile

4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile (PubChem CID 156811140) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
PubChem CID156811140
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
SMILESCN1CCC(F)CC1.COc1ccc(-n2c(CC#N)nc3cc(C=O)cnc32)cc1
InChIInChI=1S/C16H12N4O2.C6H12FN/c1-22-13-4-2-12(3-5-13)20-15(6-7-17)19-14-8-11(10-21)9-18-16(14)20;1-8-4-2-6(7)3-5-8/h2-5,8-10H,6H2,1H3;6H,2-5H2,1H3
InChIKeyWVYAOCSODGQNOU-UHFFFAOYSA-N
XLogP3.36
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile?
The IUPAC name of 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile (CID 156811140) is 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile.
What is the SMILES notation for 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile?
The canonical SMILES for 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile is CN1CCC(F)CC1.COc1ccc(-n2c(CC#N)nc3cc(C=O)cnc32)cc1.
What is the InChIKey of 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile?
The InChIKey is WVYAOCSODGQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2.C6H12FN/c1-22-13-4-2-12(3-5-13)20-15(6-7-17)19-14-8-11(10-21)9-18-16(14)20;1-8-4-2-6(7)3-5-8/h2-5,8-10H,6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile?
4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile has a molecular weight of 409.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile is sourced from PubChem (CID 156811140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).