4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine

C8H6F6N4 — CID 90461922

IUPAC4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c1C(C(F)(F)F)=CN(C(F)(F)F)C2
InChIInChI=1S/C8H6F6N4/c9-7(10,11)3-1-18(8(12,13)14)2-4-5(3)6(15)17-16-4/h1H,2H2,(H3,15,16,17)
InChIKeyYYMXCIGYMLGLJN-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.23
Rot. Bonds

About 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine

4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine (PubChem CID 90461922) has the molecular formula C8H6F6N4 and a molecular weight of 272.15 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine
PubChem CID90461922
Molecular FormulaC8H6F6N4
Molecular Weight272.15 g/mol
Exact Mass272.05
IUPAC Name4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c1C(C(F)(F)F)=CN(C(F)(F)F)C2
InChIInChI=1S/C8H6F6N4/c9-7(10,11)3-1-18(8(12,13)14)2-4-5(3)6(15)17-16-4/h1H,2H2,(H3,15,16,17)
InChIKeyYYMXCIGYMLGLJN-UHFFFAOYSA-N
XLogP2.23
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-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 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine (CID 90461922) is 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine is Nc1n[nH]c2c1C(C(F)(F)F)=CN(C(F)(F)F)C2.
What is the InChIKey of 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is YYMXCIGYMLGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N4/c9-7(10,11)3-1-18(8(12,13)14)2-4-5(3)6(15)17-16-4/h1H,2H2,(H3,15,16,17).
What are the key properties of 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine?
4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 272.15 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 90461922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).