3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile

C23H22N8 — CID 171496360

IUPAC3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3nc(-c4cccnc4N)n(N4CCC(N)CC4)c3n2)c1
InChIInChI=1S/C23H22N8/c24-14-15-3-1-4-16(13-15)19-6-7-20-23(28-19)31(30-11-8-17(25)9-12-30)22(29-20)18-5-2-10-27-21(18)26/h1-7,10,13,17H,8-9,11-12,25H2,(H2,26,27)
InChIKeyREEPGLCFOBDFDR-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.67
Rot. Bonds3

About 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile

3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile (PubChem CID 171496360) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
PubChem CID171496360
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3nc(-c4cccnc4N)n(N4CCC(N)CC4)c3n2)c1
InChIInChI=1S/C23H22N8/c24-14-15-3-1-4-16(13-15)19-6-7-20-23(28-19)31(30-11-8-17(25)9-12-30)22(29-20)18-5-2-10-27-21(18)26/h1-7,10,13,17H,8-9,11-12,25H2,(H2,26,27)
InChIKeyREEPGLCFOBDFDR-UHFFFAOYSA-N
XLogP2.67
TPSA122.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-phenyl-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 171495630
3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068857
3-[2-(2-amino-3-pyridinyl)-3-(1-piperazin-1-ylbut-3-enyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 174276191
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
CID 171494417
3-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150
3-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]benzonitrile
CID 177316984
4-[[1-[2-(2-amino-3-pyridinyl)-5-[6-(1-fluoroethyl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171496337
tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
CID 174249634
3-[5-(cyclohexen-1-yl)-3-piperazin-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174251026
3-[3-[4-[(4-aminopiperidin-1-yl)-dideuteriomethyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 171494482
[(3S)-1-[[4-[2-[2-amino-6-[3-[2-(2-amino-3-pyridinyl)-3-[4-[[(3S)-3-(cyanoamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]-3-pyridinyl]-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]pyrrolidin-3-yl]cyanamide
CID 171625650
4-[[1-[[4-[5-(3-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171495389

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile (CID 171496360) is 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile is N#Cc1cccc(-c2ccc3nc(-c4cccnc4N)n(N4CCC(N)CC4)c3n2)c1.
What is the InChIKey of 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The InChIKey is REEPGLCFOBDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c24-14-15-3-1-4-16(13-15)19-6-7-20-23(28-19)31(30-11-8-17(25)9-12-30)22(29-20)18-5-2-10-27-21(18)26/h1-7,10,13,17H,8-9,11-12,25H2,(H2,26,27).
What are the key properties of 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile?
3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile has a molecular weight of 410.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 171496360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).