N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine

C19H19F3N4O — CID 174266249

IUPACN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccoc23)C1
InChIInChI=1S/C19H19F3N4O/c1-26-9-2-3-14(11-26)23-18-17-15(8-10-27-17)16(24-25-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyKPOQTFUIHLXTIL-CQSZACIVSA-N
MW376.38 g/mol
LogP4.41
Rot. Bonds3

About N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine

N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine (PubChem CID 174266249) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
PubChem CID174266249
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccoc23)C1
InChIInChI=1S/C19H19F3N4O/c1-26-9-2-3-14(11-26)23-18-17-15(8-10-27-17)16(24-25-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyKPOQTFUIHLXTIL-CQSZACIVSA-N
XLogP4.41
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-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 N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine?
The IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine (CID 174266249) is N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine.
What is the SMILES notation for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine?
The canonical SMILES for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine is CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccoc23)C1.
What is the InChIKey of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine?
The InChIKey is KPOQTFUIHLXTIL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-26-9-2-3-14(11-26)23-18-17-15(8-10-27-17)16(24-25-18)12-4-6-13(7-5-12)19(20,21)22/h4-8,10,14H,2-3,9,11H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine?
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine has a molecular weight of 376.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine is sourced from PubChem (CID 174266249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).