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

C18H23N9O2 — CID 122589723

IUPAC[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNCC4)nc3n2)cn1
InChIInChI=1S/C18H23N9O2/c1-25-11-12(10-20-25)14-22-15-13(17(24-14)26-6-8-29-9-7-26)21-16(23-15)18(28)27-4-2-19-3-5-27/h10-11,19H,2-9H2,1H3,(H,21,22,23,24)
InChIKeyUJJOUHQTDNGKJY-UHFFFAOYSA-N
MW397.44 g/mol
LogP-0.36
Rot. Bonds3

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

[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone (PubChem CID 122589723) has the molecular formula C18H23N9O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone
PubChem CID122589723
Molecular FormulaC18H23N9O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNCC4)nc3n2)cn1
InChIInChI=1S/C18H23N9O2/c1-25-11-12(10-20-25)14-22-15-13(17(24-14)26-6-8-29-9-7-26)21-16(23-15)18(28)27-4-2-19-3-5-27/h10-11,19H,2-9H2,1H3,(H,21,22,23,24)
InChIKeyUJJOUHQTDNGKJY-UHFFFAOYSA-N
XLogP-0.36
TPSA117.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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](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
{4-[cis-2,6-Dimethylmorpholin-4-yl]piperidin-1-yl}[6-(morpholin-4-yl)-2-(1H-pyrazol-4-yl)-9H-purin-8-yl]methanone
CID 122589735

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone (CID 122589723) is [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone is Cn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCNCC4)nc3n2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is UJJOUHQTDNGKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O2/c1-25-11-12(10-20-25)14-22-15-13(17(24-14)26-6-8-29-9-7-26)21-16(23-15)18(28)27-4-2-19-3-5-27/h10-11,19H,2-9H2,1H3,(H,21,22,23,24).
What are the key properties of [2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone?
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 397.44 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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]-piperazin-1-ylmethanone is sourced from PubChem (CID 122589723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).