6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

C18H15F2N7 — CID 71612612

IUPAC6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
SMILESCC(F)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C18H15F2N7/c1-10(19)14-16(21)23-17(25-24-14)15-12-6-4-8-22-18(12)27(26-15)9-11-5-2-3-7-13(11)20/h2-8,10H,9H2,1H3,(H2,21,23,25)
InChIKeyCQIAIYCJEZDRMM-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.08
Rot. Bonds4

About 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (PubChem CID 71612612) has the molecular formula C18H15F2N7 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
PubChem CID71612612
Molecular FormulaC18H15F2N7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC Name6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
SMILESCC(F)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C18H15F2N7/c1-10(19)14-16(21)23-17(25-24-14)15-12-6-4-8-22-18(12)27(26-15)9-11-5-2-3-7-13(11)20/h2-8,10H,9H2,1H3,(H2,21,23,25)
InChIKeyCQIAIYCJEZDRMM-UHFFFAOYSA-N
XLogP3.08
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (CID 71612612) is 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is CC(F)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.
What is the InChIKey of 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
The InChIKey is CQIAIYCJEZDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7/c1-10(19)14-16(21)23-17(25-24-14)15-12-6-4-8-22-18(12)27(26-15)9-11-5-2-3-7-13(11)20/h2-8,10H,9H2,1H3,(H2,21,23,25).
What are the key properties of 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine has a molecular weight of 367.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 71612612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).