4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H16FN5O3 — CID 135655686

IUPAC4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(-c3ccc(F)cc3)o1)CC(=O)N2
InChIInChI=1S/C21H16FN5O3/c1-11-20-14(16-7-6-15(30-16)12-2-4-13(22)5-3-12)10-19(29)23-21(20)27(26-11)17-8-9-18(28)25-24-17/h2-9,14H,10H2,1H3,(H,23,29)(H,25,28)
InChIKeyKMGVCIADADEPCC-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.14
Rot. Bonds3

About 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655686) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135655686
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(-c3ccc(F)cc3)o1)CC(=O)N2
InChIInChI=1S/C21H16FN5O3/c1-11-20-14(16-7-6-15(30-16)12-2-4-13(22)5-3-12)10-19(29)23-21(20)27(26-11)17-8-9-18(28)25-24-17/h2-9,14H,10H2,1H3,(H,23,29)(H,25,28)
InChIKeyKMGVCIADADEPCC-UHFFFAOYSA-N
XLogP3.14
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655686) is 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(-c3ccc(F)cc3)o1)CC(=O)N2.
What is the InChIKey of 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KMGVCIADADEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c1-11-20-14(16-7-6-15(30-16)12-2-4-13(22)5-3-12)10-19(29)23-21(20)27(26-11)17-8-9-18(28)25-24-17/h2-9,14H,10H2,1H3,(H,23,29)(H,25,28).
What are the key properties of 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 405.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)furan-2-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).