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

C23H32N8O3 — CID 122589733

IUPAC[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(C(C)(C)O)CC3)nc2n1
InChIInChI=1S/C23H32N8O3/c1-14-16(13-29(4)28-14)18-25-19-17(21(27-18)30-9-11-34-12-10-30)24-20(26-19)22(32)31-7-5-15(6-8-31)23(2,3)33/h13,15,33H,5-12H2,1-4H3,(H,24,25,26,27)
InChIKeyQUDNXVOASNTKSL-UHFFFAOYSA-N
MW468.56 g/mol
LogP1.52
Rot. Bonds4

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

[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 122589733) has the molecular formula C23H32N8O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
PubChem CID122589733
Molecular FormulaC23H32N8O3
Molecular Weight468.56 g/mol
Exact Mass468.26
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(C(C)(C)O)CC3)nc2n1
InChIInChI=1S/C23H32N8O3/c1-14-16(13-29(4)28-14)18-25-19-17(21(27-18)30-9-11-34-12-10-30)24-20(26-19)22(32)31-7-5-15(6-8-31)23(2,3)33/h13,15,33H,5-12H2,1-4H3,(H,24,25,26,27)
InChIKeyQUDNXVOASNTKSL-UHFFFAOYSA-N
XLogP1.52
TPSA125.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-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
[5-(1,3-Dimethyl-1H-pyrazol-4-yl)-6-fluoro-7-(morpholin-4-yl)-3H-imidazo[4,5-b]pyridin-2-yl][4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 134324472
[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
[2-(1,3-Dimethyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl][4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methanone
CID 122589736
2-(4-{[2-(1,3-Dimethyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}piperazin-1-yl)-2-methylpropanamide
CID 122589738

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 122589733) is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is Cc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(C(C)(C)O)CC3)nc2n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The InChIKey is QUDNXVOASNTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O3/c1-14-16(13-29(4)28-14)18-25-19-17(21(27-18)30-9-11-34-12-10-30)24-20(26-19)22(32)31-7-5-15(6-8-31)23(2,3)33/h13,15,33H,5-12H2,1-4H3,(H,24,25,26,27).
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122589733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).