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

C22H14F2N6 — CID 6539402

IUPACN-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1
InChIInChI=1S/C22H14F2N6/c23-15-11-16(24)13-17(12-15)27-22-25-10-8-18(28-22)20-19-7-4-9-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28)
InChIKeyXCJVRZAQFJYFSZ-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.88
Rot. Bonds4

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

N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539402) has the molecular formula C22H14F2N6 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539402
Molecular FormulaC22H14F2N6
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC NameN-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1
InChIInChI=1S/C22H14F2N6/c23-15-11-16(24)13-17(12-15)27-22-25-10-8-18(28-22)20-19-7-4-9-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28)
InChIKeyXCJVRZAQFJYFSZ-UHFFFAOYSA-N
XLogP4.88
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Tegobuvir
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5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539402) is N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is Fc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is XCJVRZAQFJYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6/c23-15-11-16(24)13-17(12-15)27-22-25-10-8-18(28-22)20-19-7-4-9-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28).
What are the key properties of N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 400.39 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).