[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone

C19H24N8O2 — CID 122589782

IUPAC[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCCCC4)nc3n2)cn1
InChIInChI=1S/C19H24N8O2/c1-25-12-13(11-20-25)15-22-16-14(18(24-15)26-7-9-29-10-8-26)21-17(23-16)19(28)27-5-3-2-4-6-27/h11-12H,2-10H2,1H3,(H,21,22,23,24)
InChIKeyRFEBPSSQDWUZAI-UHFFFAOYSA-N
MW396.46 g/mol
LogP1.22
Rot. Bonds3

About [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone

[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone (PubChem CID 122589782) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone
PubChem CID122589782
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCCCC4)nc3n2)cn1
InChIInChI=1S/C19H24N8O2/c1-25-12-13(11-20-25)15-22-16-14(18(24-15)26-7-9-29-10-8-26)21-17(23-16)19(28)27-5-3-2-4-6-27/h11-12H,2-10H2,1H3,(H,21,22,23,24)
InChIKeyRFEBPSSQDWUZAI-UHFFFAOYSA-N
XLogP1.22
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 134519452
(2S)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 134519632
8-[1-(4-morpholin-4-ylbut-2-ynyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 137639632
N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
CID 162658440
(2R)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 134519449
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-6-(morpholin-4-yl)-9H-purin-8-yl}[4-(morpholin-4-yl)piperidin-1-yl]methanone
CID 122589727
[4-(Morpholin-4-yl)piperidin-1-yl]{6-(morpholin-4-yl)-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-9H-purin-8-yl}methanone
CID 134324503
[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl](piperazin-1-yl)methanone
CID 122589723
[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl](2-oxa-7-azaspiro[3.5]non-7-yl)methanone
CID 122589724
2-Methyl-2-(4-{[2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}piperazin-1-yl)propanamide
CID 122589730
[4-(Dimethylamino)piperidin-1-yl][9-methyl-2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]methanone
CID 122589731
[2-(1,3-Dimethyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl][4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 122589733

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone (CID 122589782) is [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone is Cn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCCCC4)nc3n2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone?
The InChIKey is RFEBPSSQDWUZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-25-12-13(11-20-25)15-22-16-14(18(24-15)26-7-9-29-10-8-26)21-17(23-16)19(28)27-5-3-2-4-6-27/h11-12H,2-10H2,1H3,(H,21,22,23,24).
What are the key properties of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone?
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone has a molecular weight of 396.46 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 122589782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).