N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide

C25H27N5O2 — CID 129275421

IUPACN-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cnc2nc(N3C4CCC45CC(O)CC35)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H27N5O2/c1-3-22(32)28(2)17-11-19-23(26-14-17)27-24(29(19)15-16-7-5-4-6-8-16)30-20-9-10-25(20)13-18(31)12-21(25)30/h3-8,11,14,18,20-21,31H,1,9-10,12-13,15H2,2H3
InChIKeyRWYRTWDLUMVASO-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.12
Rot. Bonds5

About N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide

N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide (PubChem CID 129275421) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
PubChem CID129275421
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cnc2nc(N3C4CCC45CC(O)CC35)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H27N5O2/c1-3-22(32)28(2)17-11-19-23(26-14-17)27-24(29(19)15-16-7-5-4-6-8-16)30-20-9-10-25(20)13-18(31)12-21(25)30/h3-8,11,14,18,20-21,31H,1,9-10,12-13,15H2,2H3
InChIKeyRWYRTWDLUMVASO-UHFFFAOYSA-N
XLogP3.12
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide with MolForge

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Related Compounds

N-[1-benzyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129248512
N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
CID 145332848
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 129275418
1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride
CID 159839848
1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
CID 129275575
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
CID 129274837
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
CID 129275581
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
CID 129248593
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 72721233
1-benzyl-N,N,6-triethylimidazo[4,5-b]pyridin-2-amine
CID 158544438

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide?
The IUPAC name of N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide (CID 129275421) is N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide?
The canonical SMILES for N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cnc2nc(N3C4CCC45CC(O)CC35)n(Cc3ccccc3)c2c1.
What is the InChIKey of N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide?
The InChIKey is RWYRTWDLUMVASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-3-22(32)28(2)17-11-19-23(26-14-17)27-24(29(19)15-16-7-5-4-6-8-16)30-20-9-10-25(20)13-18(31)12-21(25)30/h3-8,11,14,18,20-21,31H,1,9-10,12-13,15H2,2H3.
What are the key properties of N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide?
N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide has a molecular weight of 429.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 129275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).