2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide

C17H19N7O2 — CID 25196108

IUPAC2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide
SMILESNC(=O)CNc1ccc(-c2nc(N3CCOCC3)c3cn[nH]c3n2)cc1
InChIInChI=1S/C17H19N7O2/c18-14(25)10-19-12-3-1-11(2-4-12)15-21-16-13(9-20-23-16)17(22-15)24-5-7-26-8-6-24/h1-4,9,19H,5-8,10H2,(H2,18,25)(H,20,21,22,23)
InChIKeyXZUFPHBAIHILEJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide

2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide (PubChem CID 25196108) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide
PubChem CID25196108
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide
SMILESNC(=O)CNc1ccc(-c2nc(N3CCOCC3)c3cn[nH]c3n2)cc1
InChIInChI=1S/C17H19N7O2/c18-14(25)10-19-12-3-1-11(2-4-12)15-21-16-13(9-20-23-16)17(22-15)24-5-7-26-8-6-24/h1-4,9,19H,5-8,10H2,(H2,18,25)(H,20,21,22,23)
InChIKeyXZUFPHBAIHILEJ-UHFFFAOYSA-N
XLogP0.75
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]benzenesulfonamide
CID 90421196
1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 141219031
1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
CID 141218881
N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 118887175
[4-[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 68866313
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
1-[4-[7-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601280
[4-[1-(1-benzoylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865060
1-ethyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865414
1-tert-butyl-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181960
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide?
The IUPAC name of 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide (CID 25196108) is 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide.
What is the SMILES notation for 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide?
The canonical SMILES for 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide is NC(=O)CNc1ccc(-c2nc(N3CCOCC3)c3cn[nH]c3n2)cc1.
What is the InChIKey of 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide?
The InChIKey is XZUFPHBAIHILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c18-14(25)10-19-12-3-1-11(2-4-12)15-21-16-13(9-20-23-16)17(22-15)24-5-7-26-8-6-24/h1-4,9,19H,5-8,10H2,(H2,18,25)(H,20,21,22,23).
What are the key properties of 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide?
2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide has a molecular weight of 353.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)anilino]acetamide is sourced from PubChem (CID 25196108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).