[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium

C19H14ClN3O4PS+ — CID 175428335

IUPAC[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCSc1nc2nc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN3O4PS/c20-14-9-15-18(23-19(21-15)29-10-27-28(25)26)22-17(14)12-7-5-11(6-8-12)13-3-1-2-4-16(13)24/h1-9H,10H2,(H2-,21,22,23,24,25,26)/p+1
InChIKeyBWTLUDHOCJHOEJ-UHFFFAOYSA-O
MW446.83 g/mol
LogP5.37
Rot. Bonds6

About [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium

[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium (PubChem CID 175428335) has the molecular formula C19H14ClN3O4PS+ and a molecular weight of 446.83 g/mol. Its IUPAC name is [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium
PubChem CID175428335
Molecular FormulaC19H14ClN3O4PS+
Molecular Weight446.83 g/mol
Exact Mass446.01
IUPAC Name[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCSc1nc2nc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN3O4PS/c20-14-9-15-18(23-19(21-15)29-10-27-28(25)26)22-17(14)12-7-5-11(6-8-12)13-3-1-2-4-16(13)24/h1-9H,10H2,(H2-,21,22,23,24,25,26)/p+1
InChIKeyBWTLUDHOCJHOEJ-UHFFFAOYSA-O
XLogP5.37
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.83
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanoic acid
CID 162359938
N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
CID 136634854
2-[[6-chloro-5-[4-[2-hydroxy-4-[[3-[[[(4S)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]azetidin-1-yl]methyl]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]acetic acid
CID 174067431
5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 136634853
(2R)-4-[[6-chloro-5-[4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxolan-3-ol
CID 144579788
(2S,4S)-4-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolane-2-carboxamide
CID 144579796
2-[3-(2-hydroxyphenyl)-4-(4-phosphorosophenyl)phenyl]phenol
CID 141093977
2-[(3aR,6R,6aS)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
CID 90067257
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[(3aR,6R,6aS)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetic acid
CID 118413231
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;acetylene;ethanol
CID 144579716
2-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzonitrile
CID 138508658

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium?
The IUPAC name of [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium (CID 175428335) is [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium?
The canonical SMILES for [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium is O=[P+](O)OCSc1nc2nc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium?
The InChIKey is BWTLUDHOCJHOEJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H13ClN3O4PS/c20-14-9-15-18(23-19(21-15)29-10-27-28(25)26)22-17(14)12-7-5-11(6-8-12)13-3-1-2-4-16(13)24/h1-9H,10H2,(H2-,21,22,23,24,25,26)/p+1.
What are the key properties of [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium?
[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium has a molecular weight of 446.83 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanylmethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175428335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).