2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one

C24H30N4O — CID 123846087

IUPAC2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1=CCC=NC1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
InChIInChI=1S/C24H30N4O/c1-18-6-4-12-25-22(18)27-14-10-24(11-15-27)9-5-13-28(23(24)29)17-19-16-26-21-8-3-2-7-20(19)21/h2-3,6-8,12,16,22,26H,4-5,9-11,13-15,17H2,1H3
InChIKeyPAVMHPSDFBUFIJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.12
Rot. Bonds3

About 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one

2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 123846087) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID123846087
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1=CCC=NC1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
InChIInChI=1S/C24H30N4O/c1-18-6-4-12-25-22(18)27-14-10-24(11-15-27)9-5-13-28(23(24)29)17-19-16-26-21-8-3-2-7-20(19)21/h2-3,6-8,12,16,22,26H,4-5,9-11,13-15,17H2,1H3
InChIKeyPAVMHPSDFBUFIJ-UHFFFAOYSA-N
XLogP4.12
TPSA51.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969347
2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969784
2-(1H-indol-3-ylmethyl)-9-pyrido[3,4-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67252802
8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 57406617
2-(1H-indol-3-ylmethyl)-9-pyrido[2,3-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67251259
2-(1H-indol-3-ylmethyl)-9-(4-phenylpyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 67251096
9-(7H-cyclopenta[d]pyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 148726067
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473
2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979687
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 67979915
2-(1H-indol-3-ylmethyl)-7-(4-methoxy-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979892
2-(1H-indol-3-ylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 67979399

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 123846087) is 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one is CC1=CCC=NC1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is PAVMHPSDFBUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-6-4-12-25-22(18)27-14-10-24(11-15-27)9-5-13-28(23(24)29)17-19-16-26-21-8-3-2-7-20(19)21/h2-3,6-8,12,16,22,26H,4-5,9-11,13-15,17H2,1H3.
What are the key properties of 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 390.53 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 123846087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).