2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione

C15H10FN7O2 — CID 159226972

IUPAC2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2ccc3nn(-c4cncc(F)c4)cc3n2)c1=O
InChIInChI=1S/C15H10FN7O2/c1-21-14(24)7-18-23(15(21)25)13-3-2-11-12(19-13)8-22(20-11)10-4-9(16)5-17-6-10/h2-8H,1H3
InChIKeyKSKIKXVFSPPSBB-UHFFFAOYSA-N
MW339.29 g/mol
LogP0.20
Rot. Bonds2

About 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione

2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 159226972) has the molecular formula C15H10FN7O2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID159226972
Molecular FormulaC15H10FN7O2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2ccc3nn(-c4cncc(F)c4)cc3n2)c1=O
InChIInChI=1S/C15H10FN7O2/c1-21-14(24)7-18-23(15(21)25)13-3-2-11-12(19-13)8-22(20-11)10-4-9(16)5-17-6-10/h2-8H,1H3
InChIKeyKSKIKXVFSPPSBB-UHFFFAOYSA-N
XLogP0.20
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione (CID 159226972) is 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(-c2ccc3nn(-c4cncc(F)c4)cc3n2)c1=O.
What is the InChIKey of 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is KSKIKXVFSPPSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN7O2/c1-21-14(24)7-18-23(15(21)25)13-3-2-11-12(19-13)8-22(20-11)10-4-9(16)5-17-6-10/h2-8H,1H3.
What are the key properties of 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione?
2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 339.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-3-pyridinyl)pyrazolo[4,3-b]pyridin-5-yl]-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 159226972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).