5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide

C23H21FN4O2 — CID 123916267

IUPAC5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC4(N5Cc6ccncc6C5=O)CC(C1)C24C3)c1ccc(F)cn1
InChIInChI=1S/C23H21FN4O2/c24-16-1-2-18(26-10-16)19(29)27-21-5-13-6-22(9-15(8-21)23(21,22)7-13)28-12-14-3-4-25-11-17(14)20(28)30/h1-4,10-11,13,15H,5-9,12H2,(H,27,29)
InChIKeyBGAGEWSDWMXWTC-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.70
Rot. Bonds3

About 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide

5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide (PubChem CID 123916267) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide
PubChem CID123916267
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC4(N5Cc6ccncc6C5=O)CC(C1)C24C3)c1ccc(F)cn1
InChIInChI=1S/C23H21FN4O2/c24-16-1-2-18(26-10-16)19(29)27-21-5-13-6-22(9-15(8-21)23(21,22)7-13)28-12-14-3-4-25-11-17(14)20(28)30/h1-4,10-11,13,15H,5-9,12H2,(H,27,29)
InChIKeyBGAGEWSDWMXWTC-UHFFFAOYSA-N
XLogP2.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide (CID 123916267) is 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide is O=C(NC12CC3CC4(N5Cc6ccncc6C5=O)CC(C1)C24C3)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide?
The InChIKey is BGAGEWSDWMXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-16-1-2-18(26-10-16)19(29)27-21-5-13-6-22(9-15(8-21)23(21,22)7-13)28-12-14-3-4-25-11-17(14)20(28)30/h1-4,10-11,13,15H,5-9,12H2,(H,27,29).
What are the key properties of 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide?
5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[7-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)-3-tetracyclo[5.2.1.03,8.05,8]decanyl]pyridine-2-carboxamide is sourced from PubChem (CID 123916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).