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

C20H28N8O2 — CID 11292843

IUPAC1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1nn(CCOCC)c2c(Nc3cc(C)ccn3)nc(NCC)nc12
InChIInChI=1S/C20H28N8O2/c1-5-21-19(29)16-15-17(28(27-16)10-11-30-7-3)18(26-20(25-15)22-6-2)24-14-12-13(4)8-9-23-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,29)(H2,22,23,24,25,26)
InChIKeyBWNWUGREUOUINL-UHFFFAOYSA-N
MW412.50 g/mol
LogP2.49
Rot. Bonds10

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

1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 11292843) has the molecular formula C20H28N8O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID11292843
Molecular FormulaC20H28N8O2
Molecular Weight412.50 g/mol
Exact Mass412.23
IUPAC Name1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1nn(CCOCC)c2c(Nc3cc(C)ccn3)nc(NCC)nc12
InChIInChI=1S/C20H28N8O2/c1-5-21-19(29)16-15-17(28(27-16)10-11-30-7-3)18(26-20(25-15)22-6-2)24-14-12-13(4)8-9-23-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,29)(H2,22,23,24,25,26)
InChIKeyBWNWUGREUOUINL-UHFFFAOYSA-N
XLogP2.49
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 70999666
2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
CID 69051990
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935458
5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935524
5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935651
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 68925751
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
5-chloro-3-(chloromethyl)-N-(4-methyl-2-pyridinyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935461
5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
CID 143221039
(3S)-1-[1-(2-ethoxyethyl)-3-methyl-7-(pyridin-2-ylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperidine-3-carboxylic acid
CID 69368863

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 11292843) is 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide is CCNC(=O)c1nn(CCOCC)c2c(Nc3cc(C)ccn3)nc(NCC)nc12.
What is the InChIKey of 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is BWNWUGREUOUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O2/c1-5-21-19(29)16-15-17(28(27-16)10-11-30-7-3)18(26-20(25-15)22-6-2)24-14-12-13(4)8-9-23-14/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,29)(H2,22,23,24,25,26).
What are the key properties of 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide?
1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 11292843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).