2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine

C19H17ClN6 — CID 171599395

IUPAC2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
SMILES[2H]C([2H])([2H])Nc1ccc2nc(-c3cccnc3N)n(-c3ccc(CCl)cc3)c2n1
InChIInChI=1S/C19H17ClN6/c1-22-16-9-8-15-19(25-16)26(13-6-4-12(11-20)5-7-13)18(24-15)14-3-2-10-23-17(14)21/h2-10H,11H2,1H3,(H2,21,23)(H,22,25)/i1D3
InChIKeyXTTCEXQMWVCZNR-FIBGUPNXSA-N
MW367.86 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine

2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 171599395) has the molecular formula C19H17ClN6 and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
PubChem CID171599395
Molecular FormulaC19H17ClN6
Molecular Weight367.86 g/mol
Exact Mass367.14
IUPAC Name2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
SMILES[2H]C([2H])([2H])Nc1ccc2nc(-c3cccnc3N)n(-c3ccc(CCl)cc3)c2n1
InChIInChI=1S/C19H17ClN6/c1-22-16-9-8-15-19(25-16)26(13-6-4-12(11-20)5-7-13)18(24-15)14-3-2-10-23-17(14)21/h2-10H,11H2,1H3,(H2,21,23)(H,22,25)/i1D3
InChIKeyXTTCEXQMWVCZNR-FIBGUPNXSA-N
XLogP3.85
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[9-[4-(chloromethyl)phenyl]purin-8-yl]pyridin-2-amine
CID 171495281
3-[3-[4-(chloromethyl)phenyl]-5-(4-methoxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171494268
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
3-[3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 171493911
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
3-[3-[4-(chloromethyl)phenyl]-5-(4-methyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171496157
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787
6-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile;ethane
CID 171495399
3-[3-(4-tert-butylphenyl)-5-hydrazinylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345308
3-[3-[4-(chloromethyl)phenyl]-5-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171599525
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine (CID 171599395) is 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine is [2H]C([2H])([2H])Nc1ccc2nc(-c3cccnc3N)n(-c3ccc(CCl)cc3)c2n1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XTTCEXQMWVCZNR-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H17ClN6/c1-22-16-9-8-15-19(25-16)26(13-6-4-12(11-20)5-7-13)18(24-15)14-3-2-10-23-17(14)21/h2-10H,11H2,1H3,(H2,21,23)(H,22,25)/i1D3.
What are the key properties of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine?
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 367.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 171599395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).