N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

C23H15F3N6 — CID 6539442

IUPACN-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C23H15F3N6/c1-13-2-9-20-21(22(31-32(20)30-13)14-3-5-15(24)6-4-14)19-10-11-27-23(29-19)28-16-7-8-17(25)18(26)12-16/h2-12H,1H3,(H,27,28,29)
InChIKeyCYHPFZLFUXOCJJ-UHFFFAOYSA-N
MW432.41 g/mol
LogP5.32
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 6539442) has the molecular formula C23H15F3N6 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID6539442
Molecular FormulaC23H15F3N6
Molecular Weight432.41 g/mol
Exact Mass432.13
IUPAC NameN-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C23H15F3N6/c1-13-2-9-20-21(22(31-32(20)30-13)14-3-5-15(24)6-4-14)19-10-11-27-23(29-19)28-16-7-8-17(25)18(26)12-16/h2-12H,1H3,(H,27,28,29)
InChIKeyCYHPFZLFUXOCJJ-UHFFFAOYSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Avapritinib
CID 118023034
Tegobuvir
CID 23649154
Decoglurant
CID 71533696
Unc569
CID 53355503
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 N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (CID 6539442) is N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is CYHPFZLFUXOCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6/c1-13-2-9-20-21(22(31-32(20)30-13)14-3-5-15(24)6-4-14)19-10-11-27-23(29-19)28-16-7-8-17(25)18(26)12-16/h2-12H,1H3,(H,27,28,29).
What are the key properties of N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 432.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 6539442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).