N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide

C21H27N9O3 — CID 134324543

IUPACN-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nc3nc(-c4cnn(C)c4)nc(N4CCOCC4)c3[nH]2)CC1
InChIInChI=1S/C21H27N9O3/c1-13(31)23-15-3-5-30(6-4-15)21(32)19-24-16-18(26-19)25-17(14-11-22-28(2)12-14)27-20(16)29-7-9-33-10-8-29/h11-12,15H,3-10H2,1-2H3,(H,23,31)(H,24,25,26,27)
InChIKeyOKTVYZWJLZVKRE-UHFFFAOYSA-N
MW453.51 g/mol
LogP0.33
Rot. Bonds4

About N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide

N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide (PubChem CID 134324543) has the molecular formula C21H27N9O3 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
PubChem CID134324543
Molecular FormulaC21H27N9O3
Molecular Weight453.51 g/mol
Exact Mass453.22
IUPAC NameN-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nc3nc(-c4cnn(C)c4)nc(N4CCOCC4)c3[nH]2)CC1
InChIInChI=1S/C21H27N9O3/c1-13(31)23-15-3-5-30(6-4-15)21(32)19-24-16-18(26-19)25-17(14-11-22-28(2)12-14)27-20(16)29-7-9-33-10-8-29/h11-12,15H,3-10H2,1-2H3,(H,23,31)(H,24,25,26,27)
InChIKeyOKTVYZWJLZVKRE-UHFFFAOYSA-N
XLogP0.33
TPSA134.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324434
[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
N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
CID 134324536
[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
[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
2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 122589738
ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 122597592
2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324494
1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118380638
N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 135088868

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide (CID 134324543) is N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2nc3nc(-c4cnn(C)c4)nc(N4CCOCC4)c3[nH]2)CC1.
What is the InChIKey of N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is OKTVYZWJLZVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O3/c1-13(31)23-15-3-5-30(6-4-15)21(32)19-24-16-18(26-19)25-17(14-11-22-28(2)12-14)27-20(16)29-7-9-33-10-8-29/h11-12,15H,3-10H2,1-2H3,(H,23,31)(H,24,25,26,27).
What are the key properties of N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide?
N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 453.51 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).