N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C17H10ClF3N6 — CID 6539373

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESFC(F)(F)c1cc(Nc2nccc(-c3cnn4ncccc34)n2)ccc1Cl
InChIInChI=1S/C17H10ClF3N6/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-22-7-5-14(26-16)11-9-24-27-15(11)2-1-6-23-27/h1-9H,(H,22,25,26)
InChIKeyFGECJLIFPRCLCB-UHFFFAOYSA-N
MW390.76 g/mol
LogP4.60
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539373) has the molecular formula C17H10ClF3N6 and a molecular weight of 390.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539373
Molecular FormulaC17H10ClF3N6
Molecular Weight390.76 g/mol
Exact Mass390.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESFC(F)(F)c1cc(Nc2nccc(-c3cnn4ncccc34)n2)ccc1Cl
InChIInChI=1S/C17H10ClF3N6/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-22-7-5-14(26-16)11-9-24-27-15(11)2-1-6-23-27/h1-9H,(H,22,25,26)
InChIKeyFGECJLIFPRCLCB-UHFFFAOYSA-N
XLogP4.60
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.76
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
Pyrazolo[1,5-b]pyridazine deriv. 34
CID 6539376
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 24
CID 6539366

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539373) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is FC(F)(F)c1cc(Nc2nccc(-c3cnn4ncccc34)n2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is FGECJLIFPRCLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-22-7-5-14(26-16)11-9-24-27-15(11)2-1-6-23-27/h1-9H,(H,22,25,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 390.76 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).