2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile

C22H20ClN5O2 — CID 156793370

IUPAC2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1cc(Cl)c2nc(C(=O)N3CCC(Cc4ccccc4CN)C(=O)C3)cn2c1
InChIInChI=1S/C22H20ClN5O2/c23-18-7-14(9-24)11-28-12-19(26-21(18)28)22(30)27-6-5-16(20(29)13-27)8-15-3-1-2-4-17(15)10-25/h1-4,7,11-12,16H,5-6,8,10,13,25H2
InChIKeyGLIOWOBDXDACHR-UHFFFAOYSA-N
MW421.89 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile

2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 156793370) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID156793370
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1cc(Cl)c2nc(C(=O)N3CCC(Cc4ccccc4CN)C(=O)C3)cn2c1
InChIInChI=1S/C22H20ClN5O2/c23-18-7-14(9-24)11-28-12-19(26-21(18)28)22(30)27-6-5-16(20(29)13-27)8-15-3-1-2-4-17(15)10-25/h1-4,7,11-12,16H,5-6,8,10,13,25H2
InChIKeyGLIOWOBDXDACHR-UHFFFAOYSA-N
XLogP2.59
TPSA104.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile (CID 156793370) is 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1cc(Cl)c2nc(C(=O)N3CCC(Cc4ccccc4CN)C(=O)C3)cn2c1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is GLIOWOBDXDACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c23-18-7-14(9-24)11-28-12-19(26-21(18)28)22(30)27-6-5-16(20(29)13-27)8-15-3-1-2-4-17(15)10-25/h1-4,7,11-12,16H,5-6,8,10,13,25H2.
What are the key properties of 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile?
2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 421.89 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 156793370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).