4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C23H15F3N6 — CID 6539400

IUPAC4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1
InChIInChI=1S/C23H15F3N6/c24-23(25,26)16-8-4-9-17(14-16)29-22-27-13-11-18(30-22)20-19-10-5-12-28-32(19)31-21(20)15-6-2-1-3-7-15/h1-14H,(H,27,29,30)
InChIKeyBLAJHXAFHKBZSN-UHFFFAOYSA-N
MW432.41 g/mol
LogP5.62
Rot. Bonds4

About 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 6539400) has the molecular formula C23H15F3N6 and a molecular weight of 432.41 g/mol. Its IUPAC name is 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID6539400
Molecular FormulaC23H15F3N6
Molecular Weight432.41 g/mol
Exact Mass432.13
IUPAC Name4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1
InChIInChI=1S/C23H15F3N6/c24-23(25,26)16-8-4-9-17(14-16)29-22-27-13-11-18(30-22)20-19-10-5-12-28-32(19)31-21(20)15-6-2-1-3-7-15/h1-14H,(H,27,29,30)
InChIKeyBLAJHXAFHKBZSN-UHFFFAOYSA-N
XLogP5.62
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Decoglurant
CID 71533696
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Unc569
CID 53355503
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
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-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 6539400) is 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1.
What is the InChIKey of 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is BLAJHXAFHKBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6/c24-23(25,26)16-8-4-9-17(14-16)29-22-27-13-11-18(30-22)20-19-10-5-12-28-32(19)31-21(20)15-6-2-1-3-7-15/h1-14H,(H,27,29,30).
What are the key properties of 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 432.41 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 6539400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).