4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid

C46H42Br2N10O5 — CID 157422461

IUPAC4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESNC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(O)c1cnn2cc(Br)ccc12
InChIInChI=1S/C23H20BrN5O2.C15H17N3O.C8H5BrN2O2/c24-14-5-6-19-18(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;16-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)18-17-13;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-4,9-10H,5-8,16H2,(H,18,19);1-4H,(H,12,13)
InChIKeyBPOLOZBTSIHNTC-UHFFFAOYSA-N
MW974.71 g/mol
LogP7.49
Rot. Bonds5

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

4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 157422461) has the molecular formula C46H42Br2N10O5 and a molecular weight of 974.71 g/mol. Its IUPAC name is 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID157422461
Molecular FormulaC46H42Br2N10O5
Molecular Weight974.71 g/mol
Exact Mass972.17
IUPAC Name4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESNC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(O)c1cnn2cc(Br)ccc12
InChIInChI=1S/C23H20BrN5O2.C15H17N3O.C8H5BrN2O2/c24-14-5-6-19-18(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;16-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)18-17-13;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-4,9-10H,5-8,16H2,(H,18,19);1-4H,(H,12,13)
InChIKeyBPOLOZBTSIHNTC-UHFFFAOYSA-N
XLogP7.49
TPSA218.52 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.71
LogP ≤ 57.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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

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Related Compounds

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
Carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;methane;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167579841
Carbon dioxide;6-ethylspiro[3.3]heptan-2-amine;ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167618730
6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673548
6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673553
2-[[4-(Isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 155390674
4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;5-bromo-3-fluoropyridine-2-carboxylic acid;ethane;3-fluoro-5-(1-methylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyridine-2-carboxamide;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158033092
magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide
CID 158108603
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
4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-5-(1-methylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyridine-2-carboxamide;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158325355
4-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;cyclopropylboronic acid;4-cyclopropyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158477028
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 157422461) is 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid is NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2.O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(Br)ccc12.O=C(O)c1cnn2cc(Br)ccc12.
What is the InChIKey of 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is BPOLOZBTSIHNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O2.C15H17N3O.C8H5BrN2O2/c24-14-5-6-19-18(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;16-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)18-17-13;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-6,11-13,15H,7-10H2,(H,26,30)(H,28,31);1-4,9-10H,5-8,16H2,(H,18,19);1-4H,(H,12,13).
What are the key properties of 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid?
4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 974.71 g/mol, XLogP of 7.49, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 157422461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).