1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C24H28N4O2 — CID 131692974

IUPAC1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCN(Cc1cccnc1)CC1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1
InChIInChI=1S/C24H28N4O2/c1-27(13-18-5-4-10-25-12-18)14-19-8-9-24(30-15-19)16-28(17-24)23(29)22-11-20-6-2-3-7-21(20)26-22/h2-7,10-12,19,26H,8-9,13-17H2,1H3
InChIKeyNCLNZZBXQZGOQB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.32
Rot. Bonds5

About 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131692974) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131692974
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCN(Cc1cccnc1)CC1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1
InChIInChI=1S/C24H28N4O2/c1-27(13-18-5-4-10-25-12-18)14-19-8-9-24(30-15-19)16-28(17-24)23(29)22-11-20-6-2-3-7-21(20)26-22/h2-7,10-12,19,26H,8-9,13-17H2,1H3
InChIKeyNCLNZZBXQZGOQB-UHFFFAOYSA-N
XLogP3.32
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131692520
2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862593
1H-indol-2-yl-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669327
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
1H-indol-2-yl-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131695270
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 71995258
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131645479
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129401079

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131692974) is 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is CN(Cc1cccnc1)CC1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1.
What is the InChIKey of 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is NCLNZZBXQZGOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27(13-18-5-4-10-25-12-18)14-19-8-9-24(30-15-19)16-28(17-24)23(29)22-11-20-6-2-3-7-21(20)26-22/h2-7,10-12,19,26H,8-9,13-17H2,1H3.
What are the key properties of 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131692974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).