1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H15N3O2 — CID 135632453

IUPAC1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2/c1-20-17-13(10-18-20)12(9-16(21)19-17)15-8-7-14(22-15)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,19,21)
InChIKeyDABLNAVFBRYIFE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632453) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632453
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2/c1-20-17-13(10-18-20)12(9-16(21)19-17)15-8-7-14(22-15)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,19,21)
InChIKeyDABLNAVFBRYIFE-UHFFFAOYSA-N
XLogP3.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887357
4-[5-(3-chlorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632911
3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid
CID 135632681
1-methyl-4-(2-phenyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412587
(4R)-4-[5-(2-fluorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887537
(4S)-4-(5-phenylfuran-2-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95388677
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655
1-methyl-4-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135632641
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636759

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632453) is 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c1NC(=O)CC2c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DABLNAVFBRYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-17-13(10-18-20)12(9-16(21)19-17)15-8-7-14(22-15)11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3,(H,19,21).
What are the key properties of 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 293.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).