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

C26H25N5O3 — CID 118673519

IUPACN-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=CCCc1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1
InChIInChI=1S/C26H25N5O3/c32-9-3-4-16-7-8-22-21(14-27-31(22)15-16)24(33)28-18-12-26(13-18)10-17(11-26)23-19-5-1-2-6-20(19)25(34)30-29-23/h1-2,5-9,14-15,17-18H,3-4,10-13H2,(H,28,33)(H,30,34)
InChIKeyVFVCGLUECAIQDL-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.16
Rot. Bonds6

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

N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673519) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673519
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=CCCc1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1
InChIInChI=1S/C26H25N5O3/c32-9-3-4-16-7-8-22-21(14-27-31(22)15-16)24(33)28-18-12-26(13-18)10-17(11-26)23-19-5-1-2-6-20(19)25(34)30-29-23/h1-2,5-9,14-15,17-18H,3-4,10-13H2,(H,28,33)(H,30,34)
InChIKeyVFVCGLUECAIQDL-UHFFFAOYSA-N
XLogP3.16
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673519) is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=CCCc1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.
What is the InChIKey of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VFVCGLUECAIQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-9-3-4-16-7-8-22-21(14-27-31(22)15-16)24(33)28-18-12-26(13-18)10-17(11-26)23-19-5-1-2-6-20(19)25(34)30-29-23/h1-2,5-9,14-15,17-18H,3-4,10-13H2,(H,28,33)(H,30,34).
What are the key properties of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(3-oxopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).