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

C23H17FN6 — CID 6539440

IUPAC4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27)
InChIKeyQKEWQKWUSAUMEH-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.04
Rot. Bonds4

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

4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (PubChem CID 6539440) has the molecular formula C23H17FN6 and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
PubChem CID6539440
Molecular FormulaC23H17FN6
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC Name4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27)
InChIKeyQKEWQKWUSAUMEH-UHFFFAOYSA-N
XLogP5.04
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Avapritinib
CID 118023034
Vactosertib
CID 54766013
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Decoglurant
CID 71533696
Unc569
CID 53355503
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (CID 6539440) is 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is QKEWQKWUSAUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6/c1-15-7-12-20-21(22(29-30(20)28-15)16-8-10-17(24)11-9-16)19-13-14-25-23(27-19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 396.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).