4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one

C18H21N9O3 — CID 122589781

IUPAC4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNC(=O)C4)nc3n2)cn1
InChIInChI=1S/C18H21N9O3/c1-25-9-11(8-20-25)14-22-15-13(17(24-14)26-4-6-30-7-5-26)21-16(23-15)18(29)27-3-2-19-12(28)10-27/h8-9H,2-7,10H2,1H3,(H,19,28)(H,21,22,23,24)
InChIKeyXTRMKAHFCMRROS-UHFFFAOYSA-N
MW411.43 g/mol
LogP-0.84
Rot. Bonds3

About 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one

4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one (PubChem CID 122589781) has the molecular formula C18H21N9O3 and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one
PubChem CID122589781
Molecular FormulaC18H21N9O3
Molecular Weight411.43 g/mol
Exact Mass411.18
IUPAC Name4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNC(=O)C4)nc3n2)cn1
InChIInChI=1S/C18H21N9O3/c1-25-9-11(8-20-25)14-22-15-13(17(24-14)26-4-6-30-7-5-26)21-16(23-15)18(29)27-3-2-19-12(28)10-27/h8-9H,2-7,10H2,1H3,(H,19,28)(H,21,22,23,24)
InChIKeyXTRMKAHFCMRROS-UHFFFAOYSA-N
XLogP-0.84
TPSA134.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one with MolForge

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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
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]butan-1-one
CID 134519691
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
[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 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one (CID 122589781) is 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one is Cn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNC(=O)C4)nc3n2)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one?
The InChIKey is XTRMKAHFCMRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O3/c1-25-9-11(8-20-25)14-22-15-13(17(24-14)26-4-6-30-7-5-26)21-16(23-15)18(29)27-3-2-19-12(28)10-27/h8-9H,2-7,10H2,1H3,(H,19,28)(H,21,22,23,24).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one?
4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one has a molecular weight of 411.43 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-2-one is sourced from PubChem (CID 122589781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).