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

C25H24N4O2 — CID 118673755

IUPAC1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cc21
InChIInChI=1S/C25H24N4O2/c1-29-9-8-15-6-7-16(10-21(15)29)23(30)26-18-13-25(14-18)11-17(12-25)22-19-4-2-3-5-20(19)24(31)28-27-22/h2-10,17-18H,11-14H2,1H3,(H,26,30)(H,28,31)
InChIKeyUTPSRQWFWVOECA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.87
Rot. Bonds3

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

1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide (PubChem CID 118673755) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
PubChem CID118673755
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cc21
InChIInChI=1S/C25H24N4O2/c1-29-9-8-15-6-7-16(10-21(15)29)23(30)26-18-13-25(14-18)11-17(12-25)22-19-4-2-3-5-20(19)24(31)28-27-22/h2-10,17-18H,11-14H2,1H3,(H,26,30)(H,28,31)
InChIKeyUTPSRQWFWVOECA-UHFFFAOYSA-N
XLogP3.87
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
CID 118673697
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 118673656
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]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118673621
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
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
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
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
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
5-chloro-6-oxo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 134286643

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]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide (CID 118673755) is 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide is Cn1ccc2ccc(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]indole-6-carboxamide?
The InChIKey is UTPSRQWFWVOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29-9-8-15-6-7-16(10-21(15)29)23(30)26-18-13-25(14-18)11-17(12-25)22-19-4-2-3-5-20(19)24(31)28-27-22/h2-10,17-18H,11-14H2,1H3,(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]indole-6-carboxamide?
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]indole-6-carboxamide is sourced from PubChem (CID 118673755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).