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

C22H30N10O3 — CID 122589730

IUPAC2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCN(C(C)(C)C(N)=O)CC4)nc3n2)cn1
InChIInChI=1S/C22H30N10O3/c1-22(2,21(23)34)32-6-4-31(5-7-32)20(33)18-25-15-17(27-18)26-16(14-12-24-29(3)13-14)28-19(15)30-8-10-35-11-9-30/h12-13H,4-11H2,1-3H3,(H2,23,34)(H,25,26,27,28)
InChIKeyRVDWKPKUPTWQFM-UHFFFAOYSA-N
MW482.55 g/mol
LogP-0.39
Rot. Bonds5

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

2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide (PubChem CID 122589730) has the molecular formula C22H30N10O3 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide
PubChem CID122589730
Molecular FormulaC22H30N10O3
Molecular Weight482.55 g/mol
Exact Mass482.25
IUPAC Name2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide
SMILESCn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCN(C(C)(C)C(N)=O)CC4)nc3n2)cn1
InChIInChI=1S/C22H30N10O3/c1-22(2,21(23)34)32-6-4-31(5-7-32)20(33)18-25-15-17(27-18)26-16(14-12-24-29(3)13-14)28-19(15)30-8-10-35-11-9-30/h12-13H,4-11H2,1-3H3,(H2,23,34)(H,25,26,27,28)
InChIKeyRVDWKPKUPTWQFM-UHFFFAOYSA-N
XLogP-0.39
TPSA151.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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
[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
[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
[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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide (CID 122589730) is 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide is Cn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCN(C(C)(C)C(N)=O)CC4)nc3n2)cn1.
What is the InChIKey of 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is RVDWKPKUPTWQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N10O3/c1-22(2,21(23)34)32-6-4-31(5-7-32)20(33)18-25-15-17(27-18)26-16(14-12-24-29(3)13-14)28-19(15)30-8-10-35-11-9-30/h12-13H,4-11H2,1-3H3,(H2,23,34)(H,25,26,27,28).
What are the key properties of 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide?
2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 482.55 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 122589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).