N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H20FN5O2 — CID 118661397

IUPACN-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(F)(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2ccccc12
InChIInChI=1S/C23H20FN5O2/c24-23(19-15-5-1-2-6-16(15)21(31)28-27-19)12-22(13-23)9-14(10-22)26-20(30)17-11-25-29-8-4-3-7-18(17)29/h1-8,11,14H,9-10,12-13H2,(H,26,30)(H,28,31)
InChIKeyYAUBNTKHOOCORU-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.11
Rot. Bonds3

About N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118661397) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118661397
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(F)(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2ccccc12
InChIInChI=1S/C23H20FN5O2/c24-23(19-15-5-1-2-6-16(15)21(31)28-27-19)12-22(13-23)9-14(10-22)26-20(30)17-11-25-29-8-4-3-7-18(17)29/h1-8,11,14H,9-10,12-13H2,(H,26,30)(H,28,31)
InChIKeyYAUBNTKHOOCORU-UHFFFAOYSA-N
XLogP3.11
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118661397) is N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CC2(C1)CC(F)(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2ccccc12.
What is the InChIKey of N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YAUBNTKHOOCORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-23(19-15-5-1-2-6-16(15)21(31)28-27-19)12-22(13-23)9-14(10-22)26-20(30)17-11-25-29-8-4-3-7-18(17)29/h1-8,11,14H,9-10,12-13H2,(H,26,30)(H,28,31).
What are the key properties of N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118661397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).