2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C29H34N4O2 — CID 67407727

IUPAC2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-n5cc(C)cn5)ccc42)C3)cc1
InChIInChI=1S/C29H34N4O2/c1-21-17-30-33(18-21)24-6-9-26-23(16-24)5-10-27(26)32-19-29(20-32)11-13-31(14-12-29)28(34)15-22-3-7-25(35-2)8-4-22/h3-4,6-9,16-18,27H,5,10-15,19-20H2,1-2H3
InChIKeyFPMBFVYFILONHU-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.34
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 67407727) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID67407727
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-n5cc(C)cn5)ccc42)C3)cc1
InChIInChI=1S/C29H34N4O2/c1-21-17-30-33(18-21)24-6-9-26-23(16-24)5-10-27(26)32-19-29(20-32)11-13-31(14-12-29)28(34)15-22-3-7-25(35-2)8-4-22/h3-4,6-9,16-18,27H,5,10-15,19-20H2,1-2H3
InChIKeyFPMBFVYFILONHU-UHFFFAOYSA-N
XLogP4.34
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Related Compounds

2-(5-methoxy-2-pyridinyl)-1-[2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 53390459
5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile
CID 53390281
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 67406214
benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 123455866
2-[2-[2-[5-(6-ethylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5-methoxybenzonitrile
CID 53390768
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 53390942
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 163310112
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 67407727) is 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-n5cc(C)cn5)ccc42)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is FPMBFVYFILONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-21-17-30-33(18-21)24-6-9-26-23(16-24)5-10-27(26)32-19-29(20-32)11-13-31(14-12-29)28(34)15-22-3-7-25(35-2)8-4-22/h3-4,6-9,16-18,27H,5,10-15,19-20H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 470.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-[5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 67407727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).