7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C24H28N4O2 — CID 176501478

IUPAC7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccc2[nH]c(CN3CCC4(CCN(Cc5ccccn5)C4=O)C3)c(C)c2c1
InChIInChI=1S/C24H28N4O2/c1-17-20-13-19(30-2)6-7-21(20)26-22(17)15-27-11-8-24(16-27)9-12-28(23(24)29)14-18-5-3-4-10-25-18/h3-7,10,13,26H,8-9,11-12,14-16H2,1-2H3
InChIKeyPMJTVYHSADEQEJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.50
Rot. Bonds5

About 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176501478) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176501478
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccc2[nH]c(CN3CCC4(CCN(Cc5ccccn5)C4=O)C3)c(C)c2c1
InChIInChI=1S/C24H28N4O2/c1-17-20-13-19(30-2)6-7-21(20)26-22(17)15-27-11-8-24(16-27)9-12-28(23(24)29)14-18-5-3-4-10-25-18/h3-7,10,13,26H,8-9,11-12,14-16H2,1-2H3
InChIKeyPMJTVYHSADEQEJ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
N-[2-(4-methoxyphenyl)ethyl]-2-[1-oxo-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645484
7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 29085132
1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316612
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501195
7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501614
2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176506183
2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643597
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176501478) is 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1ccc2[nH]c(CN3CCC4(CCN(Cc5ccccn5)C4=O)C3)c(C)c2c1.
What is the InChIKey of 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PMJTVYHSADEQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-20-13-19(30-2)6-7-21(20)26-22(17)15-27-11-8-24(16-27)9-12-28(23(24)29)14-18-5-3-4-10-25-18/h3-7,10,13,26H,8-9,11-12,14-16H2,1-2H3.
What are the key properties of 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176501478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).