2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide

C17H20N6O2 — CID 86915928

IUPAC2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2c1cnn2C
InChIInChI=1S/C17H20N6O2/c1-4-23(17-14-9-20-22(2)16(14)18-11-19-17)10-15(24)21-12-6-5-7-13(8-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,21,24)
InChIKeyWYGUYFAHMXPTOY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 86915928) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID86915928
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2c1cnn2C
InChIInChI=1S/C17H20N6O2/c1-4-23(17-14-9-20-22(2)16(14)18-11-19-17)10-15(24)21-12-6-5-7-13(8-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,21,24)
InChIKeyWYGUYFAHMXPTOY-UHFFFAOYSA-N
XLogP1.84
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-[4-(3-methoxyphenyl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46979282
2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 133391636
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 112768234
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 16882022
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide (CID 86915928) is 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2c1cnn2C.
What is the InChIKey of 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is WYGUYFAHMXPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-23(17-14-9-20-22(2)16(14)18-11-19-17)10-15(24)21-12-6-5-7-13(8-12)25-3/h5-9,11H,4,10H2,1-3H3,(H,21,24).
What are the key properties of 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 86915928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).