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

C23H20BrN5O2 — CID 118673361

IUPAC6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12
InChIInChI=1S/C23H20BrN5O2/c24-14-5-6-19-18(11-25-29(19)12-14)21(30)26-15-9-23(10-15)7-13(8-23)20-16-3-1-2-4-17(16)22(31)28-27-20/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31)
InChIKeyDOPYHOIEWDQMSL-UHFFFAOYSA-N
MW478.35 g/mol
LogP3.79
Rot. Bonds3

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

6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673361) has the molecular formula C23H20BrN5O2 and a molecular weight of 478.35 g/mol. Its IUPAC name is 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673361
Molecular FormulaC23H20BrN5O2
Molecular Weight478.35 g/mol
Exact Mass477.08
IUPAC Name6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12
InChIInChI=1S/C23H20BrN5O2/c24-14-5-6-19-18(11-25-29(19)12-14)21(30)26-15-9-23(10-15)7-13(8-23)20-16-3-1-2-4-17(16)22(31)28-27-20/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31)
InChIKeyDOPYHOIEWDQMSL-UHFFFAOYSA-N
XLogP3.79
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673361) is 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DOPYHOIEWDQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O2/c24-14-5-6-19-18(11-25-29(19)12-14)21(30)26-15-9-23(10-15)7-13(8-23)20-16-3-1-2-4-17(16)22(31)28-27-20/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31).
What are the key properties of 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 478.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).