2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide

C23H32N10O3 — CID 122589738

IUPAC2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)nc2n1
InChIInChI=1S/C23H32N10O3/c1-14-15(13-30(4)29-14)17-26-18-16(20(28-17)31-9-11-36-12-10-31)25-19(27-18)21(34)32-5-7-33(8-6-32)23(2,3)22(24)35/h13H,5-12H2,1-4H3,(H2,24,35)(H,25,26,27,28)
InChIKeyXCVHLPGIJCEADG-UHFFFAOYSA-N
MW496.58 g/mol
LogP-0.08
Rot. Bonds5

About 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 122589738) has the molecular formula C23H32N10O3 and a molecular weight of 496.58 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID122589738
Molecular FormulaC23H32N10O3
Molecular Weight496.58 g/mol
Exact Mass496.27
IUPAC Name2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)nc2n1
InChIInChI=1S/C23H32N10O3/c1-14-15(13-30(4)29-14)17-26-18-16(20(28-17)31-9-11-36-12-10-31)25-19(27-18)21(34)32-5-7-33(8-6-32)23(2,3)22(24)35/h13H,5-12H2,1-4H3,(H2,24,35)(H,25,26,27,28)
InChIKeyXCVHLPGIJCEADG-UHFFFAOYSA-N
XLogP-0.08
TPSA151.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324494
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
CID 134324543
[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 122589776
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324434
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
CID 134324536
tert-butyl N-[5-(8-chloro-6-morpholin-4-yl-7H-purin-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 59333612
2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605437
(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
CID 143341410
[6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 134324525
[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 134324520

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide (CID 122589738) is 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide is Cc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)nc2n1.
What is the InChIKey of 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is XCVHLPGIJCEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N10O3/c1-14-15(13-30(4)29-14)17-26-18-16(20(28-17)31-9-11-36-12-10-31)25-19(27-18)21(34)32-5-7-33(8-6-32)23(2,3)22(24)35/h13H,5-12H2,1-4H3,(H2,24,35)(H,25,26,27,28).
What are the key properties of 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 496.58 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 122589738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).