5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H21N5O2 — CID 108776361

IUPAC5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(c3ncnc4nc[nH]c34)CC1)CC2=O
InChIInChI=1S/C20H21N5O2/c1-12-7-13(2)16-14(26)9-20(27-15(16)8-12)3-5-25(6-4-20)19-17-18(22-10-21-17)23-11-24-19/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22,23,24)
InChIKeyQNLOILKBUCMLRY-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.97
Rot. Bonds1

About 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108776361) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108776361
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(c3ncnc4nc[nH]c34)CC1)CC2=O
InChIInChI=1S/C20H21N5O2/c1-12-7-13(2)16-14(26)9-20(27-15(16)8-12)3-5-25(6-4-20)19-17-18(22-10-21-17)23-11-24-19/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22,23,24)
InChIKeyQNLOILKBUCMLRY-UHFFFAOYSA-N
XLogP2.97
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[6-(4-fluorophenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108776343
9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 70789255
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
1'-(6-chloro-5-nitropyrimidin-4-yl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774534
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108782715
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-benzyl-8-(7H-purin-6-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70730559
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809648

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108776361) is 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)OC1(CCN(c3ncnc4nc[nH]c34)CC1)CC2=O.
What is the InChIKey of 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QNLOILKBUCMLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-7-13(2)16-14(26)9-20(27-15(16)8-12)3-5-25(6-4-20)19-17-18(22-10-21-17)23-11-24-19/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22,23,24).
What are the key properties of 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1'-(7H-purin-6-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108776361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).