[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone

C24H33N9O3 — CID 122589736

IUPAC[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C4CCOCC4)CC3)nc2n1
InChIInChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-7-5-31(6-8-33)17-3-11-35-12-4-17/h15,17H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyUVXLOZALMGRYHN-UHFFFAOYSA-N
MW495.59 g/mol
LogP0.84
Rot. Bonds4

About [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone

[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 122589736) has the molecular formula C24H33N9O3 and a molecular weight of 495.59 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID122589736
Molecular FormulaC24H33N9O3
Molecular Weight495.59 g/mol
Exact Mass495.27
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C4CCOCC4)CC3)nc2n1
InChIInChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-7-5-31(6-8-33)17-3-11-35-12-4-17/h15,17H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyUVXLOZALMGRYHN-UHFFFAOYSA-N
XLogP0.84
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

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
(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
[6-Fluoro-5-(1-methyl-1H-pyrazol-4-yl)-7-(morpholin-4-yl)-3H-imidazo[4,5-b]pyridin-2-yl][4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methanone
CID 134324445
[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-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 122589736) is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is Cc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C4CCOCC4)CC3)nc2n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is UVXLOZALMGRYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-7-5-31(6-8-33)17-3-11-35-12-4-17/h15,17H,3-14H2,1-2H3,(H,25,26,27,28).
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 495.59 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122589736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).