1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

C19H17FN4O — CID 156735334

IUPAC1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc(F)cc(Cc2cc(-n3ncc4c3CCNC4=O)ccn2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-13(8-14(20)7-12)9-15-10-16(2-4-21-15)24-18-3-5-22-19(25)17(18)11-23-24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25)
InChIKeyMWMDZGSYHBWRDK-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735334) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735334
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc(F)cc(Cc2cc(-n3ncc4c3CCNC4=O)ccn2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-13(8-14(20)7-12)9-15-10-16(2-4-21-15)24-18-3-5-22-19(25)17(18)11-23-24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25)
InChIKeyMWMDZGSYHBWRDK-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735334) is 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is Cc1cc(F)cc(Cc2cc(-n3ncc4c3CCNC4=O)ccn2)c1.
What is the InChIKey of 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is MWMDZGSYHBWRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-6-13(8-14(20)7-12)9-15-10-16(2-4-21-15)24-18-3-5-22-19(25)17(18)11-23-24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25).
What are the key properties of 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 336.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluoro-5-methylphenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).