[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol

C21H19FN4O2 — CID 163531341

IUPAC[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol
SMILESOC(NOCc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)12-26-14-24-18-10-19(23-11-20(18)26)21(27)25-28-13-16-4-2-1-3-5-16/h1-11,14,21,25,27H,12-13H2
InChIKeyDTGGSFHACHFGMW-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.33
Rot. Bonds7

About [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol

[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol (PubChem CID 163531341) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol
PubChem CID163531341
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol
SMILESOC(NOCc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)12-26-14-24-18-10-19(23-11-20(18)26)21(27)25-28-13-16-4-2-1-3-5-16/h1-11,14,21,25,27H,12-13H2
InChIKeyDTGGSFHACHFGMW-UHFFFAOYSA-N
XLogP3.33
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol (CID 163531341) is [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol is OC(NOCc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol?
The InChIKey is DTGGSFHACHFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-8-6-15(7-9-17)12-26-14-24-18-10-19(23-11-20(18)26)21(27)25-28-13-16-4-2-1-3-5-16/h1-11,14,21,25,27H,12-13H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol?
[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol has a molecular weight of 378.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-6-yl]-(phenylmethoxyamino)methanol is sourced from PubChem (CID 163531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).