3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide

C22H17F2N3O3 — CID 15957051

IUPAC3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(cn1)c(C(O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O3/c23-15-5-1-13(2-6-15)11-27-12-18(21(28)14-3-7-16(24)8-4-14)17-10-25-19(9-20(17)27)22(29)26-30/h1-10,12,21,28,30H,11H2,(H,26,29)
InChIKeyICMZVQCJWIDSEC-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.56
Rot. Bonds5

About 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide

3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 15957051) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID15957051
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(cn1)c(C(O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O3/c23-15-5-1-13(2-6-15)11-27-12-18(21(28)14-3-7-16(24)8-4-14)17-10-25-19(9-20(17)27)22(29)26-30/h1-10,12,21,28,30H,11H2,(H,26,29)
InChIKeyICMZVQCJWIDSEC-UHFFFAOYSA-N
XLogP3.56
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide (CID 15957051) is 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide is O=C(NO)c1cc2c(cn1)c(C(O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is ICMZVQCJWIDSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-15-5-1-13(2-6-15)11-27-12-18(21(28)14-3-7-16(24)8-4-14)17-10-25-19(9-20(17)27)22(29)26-30/h1-10,12,21,28,30H,11H2,(H,26,29).
What are the key properties of 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide?
3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-hydroxymethyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 15957051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).