(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C21H22N4O2 — CID 56884985

IUPAC(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cnc2ccnn12
InChIInChI=1S/C21H22N4O2/c1-14-16(13-22-19-6-9-23-25(14)19)20(27)24-10-7-21(8-11-24)17-5-3-2-4-15(17)12-18(21)26/h2-6,9,13,18,26H,7-8,10-12H2,1H3
InChIKeyAIITWPWNJWEJQB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.13
Rot. Bonds1

About (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 56884985) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID56884985
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cnc2ccnn12
InChIInChI=1S/C21H22N4O2/c1-14-16(13-22-19-6-9-23-25(14)19)20(27)24-10-7-21(8-11-24)17-5-3-2-4-15(17)12-18(21)26/h2-6,9,13,18,26H,7-8,10-12H2,1H3
InChIKeyAIITWPWNJWEJQB-UHFFFAOYSA-N
XLogP2.13
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95726043
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 72920747
[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 133132279
1-[4-[4-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 77094797
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 56891399
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 56884985) is (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CCC3(CC2)c2ccccc2CC3O)cnc2ccnn12.
What is the InChIKey of (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is AIITWPWNJWEJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-16(13-22-19-6-9-23-25(14)19)20(27)24-10-7-21(8-11-24)17-5-3-2-4-15(17)12-18(21)26/h2-6,9,13,18,26H,7-8,10-12H2,1H3.
What are the key properties of (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 56884985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).