2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone

C23H27N5O — CID 166113096

IUPAC2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone
SMILESCC1(C)CCc2c(-c3cc4ccc(C(=O)N5CC6(CNC6)C5)cc4[nH]3)n[nH]c2C1
InChIInChI=1S/C23H27N5O/c1-22(2)6-5-16-19(9-22)26-27-20(16)18-7-14-3-4-15(8-17(14)25-18)21(29)28-12-23(13-28)10-24-11-23/h3-4,7-8,24-25H,5-6,9-13H2,1-2H3,(H,26,27)
InChIKeyKBAOVIGBOUROOI-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.12
Rot. Bonds2

About 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone

2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone (PubChem CID 166113096) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone
PubChem CID166113096
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone
SMILESCC1(C)CCc2c(-c3cc4ccc(C(=O)N5CC6(CNC6)C5)cc4[nH]3)n[nH]c2C1
InChIInChI=1S/C23H27N5O/c1-22(2)6-5-16-19(9-22)26-27-20(16)18-7-14-3-4-15(8-17(14)25-18)21(29)28-12-23(13-28)10-24-11-23/h3-4,7-8,24-25H,5-6,9-13H2,1-2H3,(H,26,27)
InChIKeyKBAOVIGBOUROOI-UHFFFAOYSA-N
XLogP3.12
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone?
The IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone (CID 166113096) is 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone.
What is the SMILES notation for 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone?
The canonical SMILES for 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone is CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CC6(CNC6)C5)cc4[nH]3)n[nH]c2C1.
What is the InChIKey of 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone?
The InChIKey is KBAOVIGBOUROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-22(2)6-5-16-19(9-22)26-27-20(16)18-7-14-3-4-15(8-17(14)25-18)21(29)28-12-23(13-28)10-24-11-23/h3-4,7-8,24-25H,5-6,9-13H2,1-2H3,(H,26,27).
What are the key properties of 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone?
2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.3]heptan-2-yl-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 166113096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).