1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione

C21H18N4O3 — CID 45110789

IUPAC1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H18N4O3/c1-14-20-18(11-19(27)23(14)13-16-7-6-10-22-12-16)24(15(2)26)25(21(20)28)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyLBGHHAWJKSAZHY-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.37
Rot. Bonds3

About 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione

1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 45110789) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID45110789
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H18N4O3/c1-14-20-18(11-19(27)23(14)13-16-7-6-10-22-12-16)24(15(2)26)25(21(20)28)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyLBGHHAWJKSAZHY-UHFFFAOYSA-N
XLogP2.37
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione (CID 45110789) is 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione is CC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is LBGHHAWJKSAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-20-18(11-19(27)23(14)13-16-7-6-10-22-12-16)24(15(2)26)25(21(20)28)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3.
What are the key properties of 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione?
1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 374.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 45110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).