1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide

C20H28N8O4S — CID 11465695

IUPAC1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
InChIKeyZUHZNKJIJDAJFD-UHFFFAOYSA-N
MW476.56 g/mol
LogP1.46
Rot. Bonds10

About 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide

1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 11465695) has the molecular formula C20H28N8O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID11465695
Molecular FormulaC20H28N8O4S
Molecular Weight476.56 g/mol
Exact Mass476.20
IUPAC Name1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
InChIKeyZUHZNKJIJDAJFD-UHFFFAOYSA-N
XLogP1.46
TPSA144.23 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538147
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidine-3-carboxamide
CID 11496164
1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11775013
1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidine-4-carboxamide
CID 46888708
US10774086, Example 17
CID 134551553
US10774086, Example 18
CID 134551945
5-N-[2-(6-fluoro-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414871
5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414898
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
CID 57377848
N4,N4-diethyl-1-methyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57377851

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 11465695) is 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide is CCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is ZUHZNKJIJDAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24).
What are the key properties of 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide?
1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 11465695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).