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

C26H25N5O2 — CID 118673792

IUPAC4-cyclopropyl-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)c1cnn2cccc(C3CC3)c12
InChIInChI=1S/C26H25N5O2/c32-24(21-14-27-31-9-3-6-18(23(21)31)15-7-8-15)28-17-12-26(13-17)10-16(11-26)22-19-4-1-2-5-20(19)25(33)30-29-22/h1-6,9,14-17H,7-8,10-13H2,(H,28,32)(H,30,33)
InChIKeyUJZMNWJSKMUWNX-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.90
Rot. Bonds4

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

4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673792) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673792
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-cyclopropyl-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)c1cnn2cccc(C3CC3)c12
InChIInChI=1S/C26H25N5O2/c32-24(21-14-27-31-9-3-6-18(23(21)31)15-7-8-15)28-17-12-26(13-17)10-16(11-26)22-19-4-1-2-5-20(19)25(33)30-29-22/h1-6,9,14-17H,7-8,10-13H2,(H,28,32)(H,30,33)
InChIKeyUJZMNWJSKMUWNX-UHFFFAOYSA-N
XLogP3.90
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-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 4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673792) is 4-cyclopropyl-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 4-cyclopropyl-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 4-cyclopropyl-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)c1cnn2cccc(C3CC3)c12.
What is the InChIKey of 4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UJZMNWJSKMUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-24(21-14-27-31-9-3-6-18(23(21)31)15-7-8-15)28-17-12-26(13-17)10-16(11-26)22-19-4-1-2-5-20(19)25(33)30-29-22/h1-6,9,14-17H,7-8,10-13H2,(H,28,32)(H,30,33).
What are the key properties of 4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-cyclopropyl-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 439.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-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 118673792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).