6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H13FN6O2 — CID 167931784

IUPAC6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1c(/C=N/Nc2nc3c(cnn3C)c(=O)[nH]2)oc2ccc(F)cc12
InChIInChI=1S/C16H13FN6O2/c1-8-10-5-9(17)3-4-12(10)25-13(8)7-18-22-16-20-14-11(15(24)21-16)6-19-23(14)2/h3-7H,1-2H3,(H2,20,21,22,24)/b18-7+
InChIKeyFCWSPDCSZMBDJD-CNHKJKLMSA-N
MW340.32 g/mol
LogP2.30
Rot. Bonds3

About 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 167931784) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID167931784
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1c(/C=N/Nc2nc3c(cnn3C)c(=O)[nH]2)oc2ccc(F)cc12
InChIInChI=1S/C16H13FN6O2/c1-8-10-5-9(17)3-4-12(10)25-13(8)7-18-22-16-20-14-11(15(24)21-16)6-19-23(14)2/h3-7H,1-2H3,(H2,20,21,22,24)/b18-7+
InChIKeyFCWSPDCSZMBDJD-CNHKJKLMSA-N
XLogP2.30
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-6-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261646
2-(4-fluorophenyl)sulfanyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604647
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105132457
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
1-methyl-6-[2-(pentan-3-ylamino)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136551865
1-tert-butyl-6-[1-(2,4-difluorophenyl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260792
1-tert-butyl-6-[[2-fluoro-1-(4-fluorophenyl)ethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138031414
6-[(E)-2-(3-bromo-4-methylphenyl)ethenyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137216362
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]hexanoic acid
CID 137061321

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 167931784) is 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1c(/C=N/Nc2nc3c(cnn3C)c(=O)[nH]2)oc2ccc(F)cc12.
What is the InChIKey of 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FCWSPDCSZMBDJD-CNHKJKLMSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-8-10-5-9(17)3-4-12(10)25-13(8)7-18-22-16-20-14-11(15(24)21-16)6-19-23(14)2/h3-7H,1-2H3,(H2,20,21,22,24)/b18-7+.
What are the key properties of 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 340.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylidene]hydrazinyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 167931784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).