2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

C21H18FN5O3 — CID 58496396

IUPAC2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3F)[nH]c2cc(=O)n1CC(=O)NCc1ccccn1
InChIInChI=1S/C21H18FN5O3/c1-13-20-16(25-27(21(20)30)17-8-3-2-7-15(17)22)10-19(29)26(13)12-18(28)24-11-14-6-4-5-9-23-14/h2-10,25H,11-12H2,1H3,(H,24,28)
InChIKeyNYTRVSJQVDVWDH-UHFFFAOYSA-N
MW407.41 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 58496396) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID58496396
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3F)[nH]c2cc(=O)n1CC(=O)NCc1ccccn1
InChIInChI=1S/C21H18FN5O3/c1-13-20-16(25-27(21(20)30)17-8-3-2-7-15(17)22)10-19(29)26(13)12-18(28)24-11-14-6-4-5-9-23-14/h2-10,25H,11-12H2,1H3,(H,24,28)
InChIKeyNYTRVSJQVDVWDH-UHFFFAOYSA-N
XLogP1.64
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 53199034
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358187
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
2-(2-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003887
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 87051704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 58496396) is 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1c2c(=O)n(-c3ccccc3F)[nH]c2cc(=O)n1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NYTRVSJQVDVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-13-20-16(25-27(21(20)30)17-8-3-2-7-15(17)22)10-19(29)26(13)12-18(28)24-11-14-6-4-5-9-23-14/h2-10,25H,11-12H2,1H3,(H,24,28).
What are the key properties of 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 407.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 58496396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).