N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide

C23H33N9O3 — CID 134324536

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
SMILESCCN(CCCN1CCOCC1)C(=O)c1nc2nc(-c3cnn(C)c3)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C23H33N9O3/c1-3-31(6-4-5-30-7-11-34-12-8-30)23(33)21-25-18-20(27-21)26-19(17-15-24-29(2)16-17)28-22(18)32-9-13-35-14-10-32/h15-16H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyQMWWJOVIJJXKPC-UHFFFAOYSA-N
MW483.58 g/mol
LogP0.77
Rot. Bonds8

About N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide

N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide (PubChem CID 134324536) has the molecular formula C23H33N9O3 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
PubChem CID134324536
Molecular FormulaC23H33N9O3
Molecular Weight483.58 g/mol
Exact Mass483.27
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
SMILESCCN(CCCN1CCOCC1)C(=O)c1nc2nc(-c3cnn(C)c3)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C23H33N9O3/c1-3-31(6-4-5-30-7-11-34-12-8-30)23(33)21-25-18-20(27-21)26-19(17-15-24-29(2)16-17)28-22(18)32-9-13-35-14-10-32/h15-16H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyQMWWJOVIJJXKPC-UHFFFAOYSA-N
XLogP0.77
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324434
[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
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
2-[4-[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 122589738
[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
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
[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
N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361600
tert-butyl N-[5-(8-chloro-6-morpholin-4-yl-7H-purin-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 59333612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide (CID 134324536) is N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide is CCN(CCCN1CCOCC1)C(=O)c1nc2nc(-c3cnn(C)c3)nc(N3CCOCC3)c2[nH]1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide?
The InChIKey is QMWWJOVIJJXKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9O3/c1-3-31(6-4-5-30-7-11-34-12-8-30)23(33)21-25-18-20(27-21)26-19(17-15-24-29(2)16-17)28-22(18)32-9-13-35-14-10-32/h15-16H,3-14H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide?
N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide is sourced from PubChem (CID 134324536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).