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

C22H14F2N6 — CID 6539401

IUPACN-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C22H14F2N6/c23-16-9-8-15(13-17(16)24)27-22-25-12-10-18(28-22)20-19-7-4-11-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28)
InChIKeyWYLUFGCIPSWIIG-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.88
Rot. Bonds4

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

N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539401) has the molecular formula C22H14F2N6 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539401
Molecular FormulaC22H14F2N6
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC NameN-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C22H14F2N6/c23-16-9-8-15(13-17(16)24)27-22-25-12-10-18(28-22)20-19-7-4-11-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28)
InChIKeyWYLUFGCIPSWIIG-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539401) is N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is WYLUFGCIPSWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6/c23-16-9-8-15(13-17(16)24)27-22-25-12-10-18(28-22)20-19-7-4-11-26-30(19)29-21(20)14-5-2-1-3-6-14/h1-13H,(H,25,27,28).
What are the key properties of N-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(3,4-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-(3,4-difluorophenyl)-4-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).