(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone

C22H29N9O3 — CID 134324512

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H29N9O3/c32-22(31-3-1-16(2-4-31)29-5-9-33-10-6-29)20-25-17-19(27-20)26-18(15-13-23-24-14-15)28-21(17)30-7-11-34-12-8-30/h13-14,16H,1-12H2,(H,23,24)(H,25,26,27,28)
InChIKeyKNCYNQSPIDXEIN-UHFFFAOYSA-N
MW467.53 g/mol
LogP0.52
Rot. Bonds4

About (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone

(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone (PubChem CID 134324512) has the molecular formula C22H29N9O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
PubChem CID134324512
Molecular FormulaC22H29N9O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H29N9O3/c32-22(31-3-1-16(2-4-31)29-5-9-33-10-6-29)20-25-17-19(27-20)26-18(15-13-23-24-14-15)28-21(17)30-7-11-34-12-8-30/h13-14,16H,1-12H2,(H,23,24)(H,25,26,27,28)
InChIKeyKNCYNQSPIDXEIN-UHFFFAOYSA-N
XLogP0.52
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[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-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
CID 134324543
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
[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-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
[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
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
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
CID 95217183
3-(4-morpholin-4-ylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
CID 70653909

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone (CID 134324512) is (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone is O=C(c1nc2nc(-c3cn[nH]c3)nc(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone?
The InChIKey is KNCYNQSPIDXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O3/c32-22(31-3-1-16(2-4-31)29-5-9-33-10-6-29)20-25-17-19(27-20)26-18(15-13-23-24-14-15)28-21(17)30-7-11-34-12-8-30/h13-14,16H,1-12H2,(H,23,24)(H,25,26,27,28).
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone?
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone has a molecular weight of 467.53 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone is sourced from PubChem (CID 134324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).