1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide

C24H23N5O2 — CID 118673697

IUPAC1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cc21
InChIInChI=1S/C24H23N5O2/c1-29-20-8-14(6-7-15(20)13-25-29)22(30)26-17-11-24(12-17)9-16(10-24)21-18-4-2-3-5-19(18)23(31)28-27-21/h2-8,13,16-17H,9-12H2,1H3,(H,26,30)(H,28,31)
InChIKeyHKFPQPUHPUDYAF-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.27
Rot. Bonds3

About 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide

1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide (PubChem CID 118673697) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
PubChem CID118673697
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cc21
InChIInChI=1S/C24H23N5O2/c1-29-20-8-14(6-7-15(20)13-25-29)22(30)26-17-11-24(12-17)9-16(10-24)21-18-4-2-3-5-19(18)23(31)28-27-21/h2-8,13,16-17H,9-12H2,1H3,(H,26,30)(H,28,31)
InChIKeyHKFPQPUHPUDYAF-UHFFFAOYSA-N
XLogP3.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
CID 118673755
3-(1H-imidazol-5-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]benzamide
CID 118673690
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 118673656
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118673621
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
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118673634
1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118673719
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
4-ethoxy-5-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
CID 118673747
3-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]benzamide
CID 134286708
6-methylsulfonyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118673588
3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286476

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide (CID 118673697) is 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide is Cn1ncc2ccc(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cc21.
What is the InChIKey of 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide?
The InChIKey is HKFPQPUHPUDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-29-20-8-14(6-7-15(20)13-25-29)22(30)26-17-11-24(12-17)9-16(10-24)21-18-4-2-3-5-19(18)23(31)28-27-21/h2-8,13,16-17H,9-12H2,1H3,(H,26,30)(H,28,31).
What are the key properties of 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide?
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 118673697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).