1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone

C30H34N4O2 — CID 171698365

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(c1n[nH]c2cc(-c3ccccc3)ccc12)N1CC2(C1)CN(C(=O)C1CCCC3CCCCC31)C2
InChIInChI=1S/C30H34N4O2/c35-28(24-12-6-10-21-9-4-5-11-23(21)24)33-16-30(17-33)18-34(19-30)29(36)27-25-14-13-22(15-26(25)31-32-27)20-7-2-1-3-8-20/h1-3,7-8,13-15,21,23-24H,4-6,9-12,16-19H2,(H,31,32)
InChIKeyDZCCNRVKSISJOK-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.12
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone (PubChem CID 171698365) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
PubChem CID171698365
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(c1n[nH]c2cc(-c3ccccc3)ccc12)N1CC2(C1)CN(C(=O)C1CCCC3CCCCC31)C2
InChIInChI=1S/C30H34N4O2/c35-28(24-12-6-10-21-9-4-5-11-23(21)24)33-16-30(17-33)18-34(19-30)29(36)27-25-14-13-22(15-26(25)31-32-27)20-7-2-1-3-8-20/h1-3,7-8,13-15,21,23-24H,4-6,9-12,16-19H2,(H,31,32)
InChIKeyDZCCNRVKSISJOK-UHFFFAOYSA-N
XLogP5.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone with MolForge

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Related Compounds

5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide
CID 171682178
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123277563
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123390295
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
2,7-diazaspiro[3.5]nonan-2-yl(1H-indazol-3-yl)methanone
CID 166081618
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
5-oxo-N-[1-[1-(6-phenyl-1H-indazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 171682122
(2S,3aS,7aS)-1-(1H-indazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129415426
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 71159364
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]cyclohexane-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 173210178

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone (CID 171698365) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone is O=C(c1n[nH]c2cc(-c3ccccc3)ccc12)N1CC2(C1)CN(C(=O)C1CCCC3CCCCC31)C2.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The InChIKey is DZCCNRVKSISJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c35-28(24-12-6-10-21-9-4-5-11-23(21)24)33-16-30(17-33)18-34(19-30)29(36)27-25-14-13-22(15-26(25)31-32-27)20-7-2-1-3-8-20/h1-3,7-8,13-15,21,23-24H,4-6,9-12,16-19H2,(H,31,32).
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone has a molecular weight of 482.63 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone is sourced from PubChem (CID 171698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).