5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C16H10BrN5OS — CID 9461791

IUPAC5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1cc(Br)cs1
InChIInChI=1S/C16H10BrN5OS/c17-11-6-13(24-9-11)7-19-21-10-18-15-14(16(21)23)8-20-22(15)12-4-2-1-3-5-12/h1-10H/b19-7-
InChIKeyYWEUJYQNOPWRCW-GXHLCREISA-N
MW400.26 g/mol
LogP3.29
Rot. Bonds3

About 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 9461791) has the molecular formula C16H10BrN5OS and a molecular weight of 400.26 g/mol. Its IUPAC name is 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID9461791
Molecular FormulaC16H10BrN5OS
Molecular Weight400.26 g/mol
Exact Mass398.98
IUPAC Name5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1cc(Br)cs1
InChIInChI=1S/C16H10BrN5OS/c17-11-6-13(24-9-11)7-19-21-10-18-15-14(16(21)23)8-20-22(15)12-4-2-1-3-5-12/h1-10H/b19-7-
InChIKeyYWEUJYQNOPWRCW-GXHLCREISA-N
XLogP3.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-phenyl-6-(2-thienyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 1068279
5-(4-bromophenyl)-1-phenyl-6-(2-thienyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 1068280
Cambridge id 5583804
CID 1350714
2-(4-Oxo-7-phenyl-4,7-dihydro-pyrazolo[3,4-d][1,2,3]triazin-3-yl)-N-thiophen-2-ylmethyl-acetamide
CID 644942
N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
CID 1049764
5-(3-chlorophenyl)-1-phenyl-6-(2-thienyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 1068281
N-(4-bromophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133832
N-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-2-(thiophen-2-yl)acetamide
CID 16804216
N-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)thiophene-2-carboxamide
CID 16804219
2-[[5-(4-bromophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 23856970
(5-Amino-1-(4-bromophenyl)-1H-pyrazol-4-YL)(2-thienyl)methanone
CID 4522164
5-(4-fluorophenyl)-1-phenyl-6-(2-thienyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 2892153

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 9461791) is 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1cc(Br)cs1.
What is the InChIKey of 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YWEUJYQNOPWRCW-GXHLCREISA-N. The full InChI is InChI=1S/C16H10BrN5OS/c17-11-6-13(24-9-11)7-19-21-10-18-15-14(16(21)23)8-20-22(15)12-4-2-1-3-5-12/h1-10H/b19-7-.
What are the key properties of 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 9461791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).