[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

C20H24N8O3 — CID 122589776

IUPAC[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC2(CC1)COC2
InChIInChI=1S/C20H24N8O3/c29-19(28-3-1-20(2-4-28)11-31-12-20)17-23-14-16(25-17)24-15(13-9-21-22-10-13)26-18(14)27-5-7-30-8-6-27/h9-10H,1-8,11-12H2,(H,21,22)(H,23,24,25,26)
InChIKeyQQYXCZQPYMESFT-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.83
Rot. Bonds3

About [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 122589776) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID122589776
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC2(CC1)COC2
InChIInChI=1S/C20H24N8O3/c29-19(28-3-1-20(2-4-28)11-31-12-20)17-23-14-16(25-17)24-15(13-9-21-22-10-13)26-18(14)27-5-7-30-8-6-27/h9-10H,1-8,11-12H2,(H,21,22)(H,23,24,25,26)
InChIKeyQQYXCZQPYMESFT-UHFFFAOYSA-N
XLogP0.83
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
[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
2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 122589738
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324434
N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
CID 134324536
2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324494
tert-butyl N-[5-(8-chloro-6-morpholin-4-yl-7H-purin-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 59333612
morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095122
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
[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
(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
CID 143341410

Frequently Asked Questions

What is the IUPAC name of [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of [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) is [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is O=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC2(CC1)COC2.
What is the InChIKey of [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is QQYXCZQPYMESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c29-19(28-3-1-20(2-4-28)11-31-12-20)17-23-14-16(25-17)24-15(13-9-21-22-10-13)26-18(14)27-5-7-30-8-6-27/h9-10H,1-8,11-12H2,(H,21,22)(H,23,24,25,26).
What are the key properties of [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 424.47 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 122589776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).