2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide

C21H17FN4O2 — CID 167593306

IUPAC2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide
SMILESCc1cnc2c(c1)C(=O)N(C(C(=O)Nc1ccccn1)c1cccc(F)c1)C2
InChIInChI=1S/C21H17FN4O2/c1-13-9-16-17(24-11-13)12-26(21(16)28)19(14-5-4-6-15(22)10-14)20(27)25-18-7-2-3-8-23-18/h2-11,19H,12H2,1H3,(H,23,25,27)
InChIKeyDHIKCUCWROAUHI-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.26
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide

2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide (PubChem CID 167593306) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide
PubChem CID167593306
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide
SMILESCc1cnc2c(c1)C(=O)N(C(C(=O)Nc1ccccn1)c1cccc(F)c1)C2
InChIInChI=1S/C21H17FN4O2/c1-13-9-16-17(24-11-13)12-26(21(16)28)19(14-5-4-6-15(22)10-14)20(27)25-18-7-2-3-8-23-18/h2-11,19H,12H2,1H3,(H,23,25,27)
InChIKeyDHIKCUCWROAUHI-UHFFFAOYSA-N
XLogP3.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide (CID 167593306) is 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide is Cc1cnc2c(c1)C(=O)N(C(C(=O)Nc1ccccn1)c1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide?
The InChIKey is DHIKCUCWROAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-9-16-17(24-11-13)12-26(21(16)28)19(14-5-4-6-15(22)10-14)20(27)25-18-7-2-3-8-23-18/h2-11,19H,12H2,1H3,(H,23,25,27).
What are the key properties of 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide?
2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide has a molecular weight of 376.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 167593306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).