2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide

C20H26N8O4 — CID 134324494

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)NCC3(CO)COC3)nc2n1
InChIInChI=1S/C20H26N8O4/c1-12-13(7-27(2)26-12)15-23-16-14(18(25-15)28-3-5-31-6-4-28)22-17(24-16)19(30)21-8-20(9-29)10-32-11-20/h7,29H,3-6,8-11H2,1-2H3,(H,21,30)(H,22,23,24,25)
InChIKeyGUONHZRPEGDHMP-UHFFFAOYSA-N
MW442.48 g/mol
LogP-0.36
Rot. Bonds6

About 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide

2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide (PubChem CID 134324494) has the molecular formula C20H26N8O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
PubChem CID134324494
Molecular FormulaC20H26N8O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)NCC3(CO)COC3)nc2n1
InChIInChI=1S/C20H26N8O4/c1-12-13(7-27(2)26-12)15-23-16-14(18(25-15)28-3-5-31-6-4-28)22-17(24-16)19(30)21-8-20(9-29)10-32-11-20/h7,29H,3-6,8-11H2,1-2H3,(H,21,30)(H,22,23,24,25)
InChIKeyGUONHZRPEGDHMP-UHFFFAOYSA-N
XLogP-0.36
TPSA143.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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-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
6-[[3-(hydroxymethyl)oxetan-3-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 166289686
(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
CID 143341410
tert-butyl N-[5-(8-chloro-6-morpholin-4-yl-7H-purin-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 59333612
2-bromo-N-[1-(2-chloro-6-morpholin-4-yl-7H-purin-8-yl)ethyl]acetamide
CID 86667381
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine
CID 175902295

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide (CID 134324494) is 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide is Cc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)NCC3(CO)COC3)nc2n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The InChIKey is GUONHZRPEGDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O4/c1-12-13(7-27(2)26-12)15-23-16-14(18(25-15)28-3-5-31-6-4-28)22-17(24-16)19(30)21-8-20(9-29)10-32-11-20/h7,29H,3-6,8-11H2,1-2H3,(H,21,30)(H,22,23,24,25).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide has a molecular weight of 442.48 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-6-morpholin-4-yl-7H-purine-8-carboxamide is sourced from PubChem (CID 134324494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).