2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C18H13FN4O2 — CID 66494761

IUPAC2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1-c1ccncc1
InChIInChI=1S/C18H13FN4O2/c1-11-17-15(10-16(24)22(11)13-6-8-20-9-7-13)21-23(18(17)25)14-4-2-12(19)3-5-14/h2-10,21H,1H3
InChIKeyBHXPZRQDFHXYBR-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494761) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494761
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1-c1ccncc1
InChIInChI=1S/C18H13FN4O2/c1-11-17-15(10-16(24)22(11)13-6-8-20-9-7-13)21-23(18(17)25)14-4-2-12(19)3-5-14/h2-10,21H,1H3
InChIKeyBHXPZRQDFHXYBR-UHFFFAOYSA-N
XLogP2.31
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494761) is 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1-c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is BHXPZRQDFHXYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-17-15(10-16(24)22(11)13-6-8-20-9-7-13)21-23(18(17)25)14-4-2-12(19)3-5-14/h2-10,21H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 336.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).