[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol

C16H11Cl3N6O — CID 142507762

IUPAC[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
SMILESOC(c1cn(Cc2nc3nc(Cl)ccc3[nH]2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N6O/c17-8-1-2-9(10(18)5-8)15(26)12-6-25(24-23-12)7-14-20-11-3-4-13(19)21-16(11)22-14/h1-6,15,26H,7H2,(H,20,21,22)
InChIKeyUPNDGNHYQFAVIW-UHFFFAOYSA-N
MW409.66 g/mol
LogP3.64
Rot. Bonds4

About [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol

[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol (PubChem CID 142507762) has the molecular formula C16H11Cl3N6O and a molecular weight of 409.66 g/mol. Its IUPAC name is [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
PubChem CID142507762
Molecular FormulaC16H11Cl3N6O
Molecular Weight409.66 g/mol
Exact Mass408.01
IUPAC Name[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
SMILESOC(c1cn(Cc2nc3nc(Cl)ccc3[nH]2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N6O/c17-8-1-2-9(10(18)5-8)15(26)12-6-25(24-23-12)7-14-20-11-3-4-13(19)21-16(11)22-14/h1-6,15,26H,7H2,(H,20,21,22)
InChIKeyUPNDGNHYQFAVIW-UHFFFAOYSA-N
XLogP3.64
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one
CID 160660456
N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
CID 142507859
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
CID 53244245
N-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 130447855
(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
CID 129373193
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 114858230
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol?
The IUPAC name of [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol (CID 142507762) is [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol?
The canonical SMILES for [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol is OC(c1cn(Cc2nc3nc(Cl)ccc3[nH]2)nn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol?
The InChIKey is UPNDGNHYQFAVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N6O/c17-8-1-2-9(10(18)5-8)15(26)12-6-25(24-23-12)7-14-20-11-3-4-13(19)21-16(11)22-14/h1-6,15,26H,7H2,(H,20,21,22).
What are the key properties of [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol?
[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol has a molecular weight of 409.66 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 142507762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).