2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

C22H24N4O — CID 67979687

IUPAC2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)C2)c1
InChIInChI=1S/C22H24N4O/c1-16-6-9-23-20(12-16)26-11-8-22(15-26)7-10-25(21(22)27)14-17-13-24-19-5-3-2-4-18(17)19/h2-6,9,12-13,24H,7-8,10-11,14-15H2,1H3
InChIKeyWZBPKTVZZNVWFG-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.50
Rot. Bonds3

About 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 67979687) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID67979687
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)C2)c1
InChIInChI=1S/C22H24N4O/c1-16-6-9-23-20(12-16)26-11-8-22(15-26)7-10-25(21(22)27)14-17-13-24-19-5-3-2-4-18(17)19/h2-6,9,12-13,24H,7-8,10-11,14-15H2,1H3
InChIKeyWZBPKTVZZNVWFG-UHFFFAOYSA-N
XLogP3.50
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-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
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473
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)-9-pyrido[3,4-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67252802
9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969347
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
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
(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 42344770
2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969784

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 67979687) is 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)C2)c1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is WZBPKTVZZNVWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-6-9-23-20(12-16)26-11-8-22(15-26)7-10-25(21(22)27)14-17-13-24-19-5-3-2-4-18(17)19/h2-6,9,12-13,24H,7-8,10-11,14-15H2,1H3.
What are the key properties of 2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.50, 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)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 67979687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).