N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine

C21H25F3N6O2 — CID 171783154

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3OC)c3c2cnn3C)C1
InChIInChI=1S/C21H25F3N6O2/c1-4-30-9-5-6-13(12-30)26-20-16-11-25-29(2)19(16)18(27-28-20)15-8-7-14(10-17(15)31-3)32-21(22,23)24/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,26,28)/t13-/m1/s1
InChIKeySQERCYLINOGYHR-CYBMUJFWSA-N
MW450.47 g/mol
LogP3.83
Rot. Bonds6

About N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine

N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine (PubChem CID 171783154) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine
PubChem CID171783154
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3OC)c3c2cnn3C)C1
InChIInChI=1S/C21H25F3N6O2/c1-4-30-9-5-6-13(12-30)26-20-16-11-25-29(2)19(16)18(27-28-20)15-8-7-14(10-17(15)31-3)32-21(22,23)24/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,26,28)/t13-/m1/s1
InChIKeySQERCYLINOGYHR-CYBMUJFWSA-N
XLogP3.83
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-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-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine (CID 171783154) is N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine is CCN1CCC[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3OC)c3c2cnn3C)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine?
The InChIKey is SQERCYLINOGYHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-4-30-9-5-6-13(12-30)26-20-16-11-25-29(2)19(16)18(27-28-20)15-8-7-14(10-17(15)31-3)32-21(22,23)24/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,26,28)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine?
N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine has a molecular weight of 450.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-7-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methylpyrazolo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 171783154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).