5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide

C23H23FN4O2 — CID 53327367

IUPAC5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(N1Cc4ncccc4C1=O)(C3)C2)c1ccc(F)cn1
InChIInChI=1S/C23H23FN4O2/c24-16-3-4-18(26-11-16)20(29)27-22-7-14-6-15(8-22)10-23(9-14,13-22)28-12-19-17(21(28)30)2-1-5-25-19/h1-5,11,14-15H,6-10,12-13H2,(H,27,29)
InChIKeyQKLPRFRWUHFRPF-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.09
Rot. Bonds3

About 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide

5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide (PubChem CID 53327367) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide
PubChem CID53327367
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(N1Cc4ncccc4C1=O)(C3)C2)c1ccc(F)cn1
InChIInChI=1S/C23H23FN4O2/c24-16-3-4-18(26-11-16)20(29)27-22-7-14-6-15(8-22)10-23(9-14,13-22)28-12-19-17(21(28)30)2-1-5-25-19/h1-5,11,14-15H,6-10,12-13H2,(H,27,29)
InChIKeyQKLPRFRWUHFRPF-UHFFFAOYSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide (CID 53327367) is 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide is O=C(NC12CC3CC(C1)CC(N1Cc4ncccc4C1=O)(C3)C2)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is QKLPRFRWUHFRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-16-3-4-18(26-11-16)20(29)27-22-7-14-6-15(8-22)10-23(9-14,13-22)28-12-19-17(21(28)30)2-1-5-25-19/h1-5,11,14-15H,6-10,12-13H2,(H,27,29).
What are the key properties of 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide?
5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 53327367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).