2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C23H26N4O — CID 159535522

IUPAC2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccnc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1
InChIInChI=1S/C23H26N4O/c1-17-8-12-24-22(25-17)26-13-9-23(10-14-26)11-15-27(21(23)28)16-19-7-6-18-4-2-3-5-20(18)19/h2-5,7-8,12H,6,9-11,13-16H2,1H3
InChIKeyMDNNBOUUBCAWEI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.24
Rot. Bonds3

About 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 159535522) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID159535522
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccnc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1
InChIInChI=1S/C23H26N4O/c1-17-8-12-24-22(25-17)26-13-9-23(10-14-26)11-15-27(21(23)28)16-19-7-6-18-4-2-3-5-20(18)19/h2-5,7-8,12H,6,9-11,13-16H2,1H3
InChIKeyMDNNBOUUBCAWEI-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 158852546
2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 153109635
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 67979915
8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 57406617
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757

Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 159535522) is 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1ccnc(N2CCC3(CCN(CC4=CCc5ccccc54)C3=O)CC2)n1.
What is the InChIKey of 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MDNNBOUUBCAWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-8-12-24-22(25-17)26-13-9-23(10-14-26)11-15-27(21(23)28)16-19-7-6-18-4-2-3-5-20(18)19/h2-5,7-8,12H,6,9-11,13-16H2,1H3.
What are the key properties of 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 374.49 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 159535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).