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

C27H26N6O3 — CID 118673500

IUPACN-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12
InChIInChI=1S/C27H26N6O3/c34-23-6-3-9-32(23)18-7-8-22-21(14-28-33(22)15-18)25(35)29-17-12-27(13-17)10-16(11-27)24-19-4-1-2-5-20(19)26(36)31-30-24/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36)
InChIKeyUHUXFMAFJKXLND-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.15
Rot. Bonds4

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

N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673500) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)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-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673500
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12
InChIInChI=1S/C27H26N6O3/c34-23-6-3-9-32(23)18-7-8-22-21(14-28-33(22)15-18)25(35)29-17-12-27(13-17)10-16(11-27)24-19-4-1-2-5-20(19)26(36)31-30-24/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36)
InChIKeyUHUXFMAFJKXLND-UHFFFAOYSA-N
XLogP3.15
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)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-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673500) is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)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-(2-oxopyrrolidin-1-yl)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-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12.
What is the InChIKey of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UHUXFMAFJKXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c34-23-6-3-9-32(23)18-7-8-22-21(14-28-33(22)15-18)25(35)29-17-12-27(13-17)10-16(11-27)24-19-4-1-2-5-20(19)26(36)31-30-24/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36).
What are the key properties of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.15, 4 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-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).