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

C53H56N10O6 — CID 158239130

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

ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 158239130) has the molecular formula C53H56N10O6 and a molecular weight of 929.10 g/mol. Its IUPAC name is ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 158239130
• Molecular Formula: C53H56N10O6
• Molecular Weight: 929.10 g/mol
• Exact Mass: 928.44
• IUPAC Name: ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: C=CCOCc1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.CC.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(CO)ccc12
• InChI: InChI=1S/C27H27N5O3.C24H23N5O3.C2H6/c1-2-9-35-16-17-7-8-23-22(14-28-32(23)15-17)25(33)29-19-12-27(13-19)10-18(11-27)24-20-5-3-4-6-21(20)26(34)31-30-24;30-13-14-5-6-20-19(11-25-29(20)12-14)22(31)26-16-9-24(10-16)7-15(8-24)21-17-3-1-2-4-18(17)23(32)28-27-21;1-2/h2-8,14-15,18-19H,1,9-13,16H2,(H,29,33)(H,31,34);1-6,11-12,15-16,30H,7-10,13H2,(H,26,31)(H,28,32);1-2H3
• InChIKey: GFIGCAUCTRQIIH-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 213.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.10
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 158239130) is ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is C=CCOCc1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.CC.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(CO)ccc12.

What is the InChIKey of ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is GFIGCAUCTRQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C24H23N5O3.C2H6/c1-2-9-35-16-17-7-8-23-22(14-28-32(23)15-17)25(33)29-19-12-27(13-19)10-18(11-27)24-20-5-3-4-6-21(20)26(34)31-30-24;30-13-14-5-6-20-19(11-25-29(20)12-14)22(31)26-16-9-24(10-16)7-15(8-24)21-17-3-1-2-4-18(17)23(32)28-27-21;1-2/h2-8,14-15,18-19H,1,9-13,16H2,(H,29,33)(H,31,34);1-6,11-12,15-16,30H,7-10,13H2,(H,26,31)(H,28,32);1-2H3.

What are the key properties of ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 929.10 g/mol, XLogP of 7.28, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 158239130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).