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

C58H64BrN13O6 — CID 158710932

IUPAC6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one
SMILESCCCNC.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12.O=C1CCCN1
InChIInChI=1S/C27H26N6O3.C23H20BrN5O2.C4H7NO.C4H11N/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;24-14-5-6-19-18(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;6-4-2-1-3-5-4;1-3-4-5-2/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36);1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-3H2,(H,5,6);5H,3-4H2,1-2H3
InChIKeyIIRYXIUFIZGCHG-UHFFFAOYSA-N
MW1119.14 g/mol
LogP7.46
Rot. Bonds9

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

6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one (PubChem CID 158710932) has the molecular formula C58H64BrN13O6 and a molecular weight of 1119.14 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;N-methylpropan-1-amine;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;pyrrolidin-2-one.

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;N-methylpropan-1-amine;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;pyrrolidin-2-one
PubChem CID158710932
Molecular FormulaC58H64BrN13O6
Molecular Weight1119.14 g/mol
Exact Mass1117.43
IUPAC Name6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one
SMILESCCCNC.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12.O=C1CCCN1
InChIInChI=1S/C27H26N6O3.C23H20BrN5O2.C4H7NO.C4H11N/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;24-14-5-6-19-18(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;6-4-2-1-3-5-4;1-3-4-5-2/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36);1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-3H2,(H,5,6);5H,3-4H2,1-2H3
InChIKeyIIRYXIUFIZGCHG-UHFFFAOYSA-N
XLogP7.46
TPSA245.74 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001119.14
LogP ≤ 57.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one with MolForge

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Related Compounds

6-[3-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-2-methyl-3-[1-[[4-[6-methyl-2-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-bicyclo[1.1.1]pentanyl]-3H-isoindol-1-one
CID 137392241
6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]pyrazolo[1,5-a]pyridine-3-carboxamide;palladium;1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 157395407
7-[1-[3-(Difluoromethyl)-1-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]triazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 176233160
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
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
6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673554
4-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673635
1-[3-[[3-Carbamoyl-6-(4-methyl-2-oxo-1-pyridinyl)pyrrolo[1,2-b]pyridazin-4-yl]amino]-2,2-dimethylbutyl]-4-(3,3-dimethylbutan-2-ylamino)-6-(2-oxo-1-pyridinyl)pyrrolo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123266194
1-[3-[[3-Carbamoyl-6-(2-oxo-4-phenylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-4-yl]amino]-2,2-dimethylbutyl]-4-(3,3-dimethylbutan-2-ylamino)-6-pyrazol-1-ylpyrrolo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123757445
1-[3-[[3-Carbamoyl-6-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-4-yl]amino]-2,2-dimethylbutyl]-4-(3,3-dimethylbutan-2-ylamino)-6-(2-oxoazetidin-1-yl)pyrrolo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123985093
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 134286487
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-6-(2,4,5-trimethylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141635837

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;N-methylpropan-1-amine;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;pyrrolidin-2-one?
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;N-methylpropan-1-amine;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;pyrrolidin-2-one (CID 158710932) is 6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one.
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;N-methylpropan-1-amine;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;pyrrolidin-2-one?
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;N-methylpropan-1-amine;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;pyrrolidin-2-one is CCCNC.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(N3CCCC3=O)ccc12.O=C1CCCN1.
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;N-methylpropan-1-amine;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;pyrrolidin-2-one?
The InChIKey is IIRYXIUFIZGCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3.C23H20BrN5O2.C4H7NO.C4H11N/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;24-14-5-6-19-18(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;6-4-2-1-3-5-4;1-3-4-5-2/h1-2,4-5,7-8,14-17H,3,6,9-13H2,(H,29,35)(H,31,36);1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-3H2,(H,5,6);5H,3-4H2,1-2H3.
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;N-methylpropan-1-amine;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;pyrrolidin-2-one?
6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-methylpropan-1-amine;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;pyrrolidin-2-one has a molecular weight of 1119.14 g/mol, XLogP of 7.46, 9 rotatable bonds, 6 hydrogen bond donors, and 13 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;N-methylpropan-1-amine;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;pyrrolidin-2-one is sourced from PubChem (CID 158710932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).