N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide

C21H27N7OS — CID 53181480

IUPACN-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCCN(CCNC(=O)c1nc(N2CCSCC2)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C21H27N7OS/c1-3-27(16-7-5-4-6-8-16)10-9-22-21(29)18-24-19-17(15-23-26(19)2)20(25-18)28-11-13-30-14-12-28/h4-8,15H,3,9-14H2,1-2H3,(H,22,29)
InChIKeyNOEWGGWDWJKKDY-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.17
Rot. Bonds7

About N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide

N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide (PubChem CID 53181480) has the molecular formula C21H27N7OS and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
PubChem CID53181480
Molecular FormulaC21H27N7OS
Molecular Weight425.56 g/mol
Exact Mass425.20
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCCN(CCNC(=O)c1nc(N2CCSCC2)c2cnn(C)c2n1)c1ccccc1
InChIInChI=1S/C21H27N7OS/c1-3-27(16-7-5-4-6-8-16)10-9-22-21(29)18-24-19-17(15-23-26(19)2)20(25-18)28-11-13-30-14-12-28/h4-8,15H,3,9-14H2,1-2H3,(H,22,29)
InChIKeyNOEWGGWDWJKKDY-UHFFFAOYSA-N
XLogP2.17
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-diethyl-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181420
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181333
N-(2-methoxyethyl)-2-methyl-4-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190934
2-methyl-N-[(3-methylphenyl)methyl]-4-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190950
2-[ethyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
CID 7216404
N-[(3-fluorophenyl)methyl]-2-methyl-4-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190943
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190284
2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
CID 7216401
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide (CID 53181480) is N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide is CCN(CCNC(=O)c1nc(N2CCSCC2)c2cnn(C)c2n1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The InChIKey is NOEWGGWDWJKKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7OS/c1-3-27(16-7-5-4-6-8-16)10-9-22-21(29)18-24-19-17(15-23-26(19)2)20(25-18)28-11-13-30-14-12-28/h4-8,15H,3,9-14H2,1-2H3,(H,22,29).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53181480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).