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

C19H14F2N6 — CID 6539446

IUPAC4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C19H14F2N6/c20-13-6-5-12(10-14(13)21)24-19-22-9-7-15(25-19)17-16-2-1-8-23-27(16)26-18(17)11-3-4-11/h1-2,5-11H,3-4H2,(H,22,24,25)
InChIKeyJDLIQIUDELHLFR-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.09
Rot. Bonds4

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

4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine (PubChem CID 6539446) has the molecular formula C19H14F2N6 and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine
PubChem CID6539446
Molecular FormulaC19H14F2N6
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F
InChIInChI=1S/C19H14F2N6/c20-13-6-5-12(10-14(13)21)24-19-22-9-7-15(25-19)17-16-2-1-8-23-27(16)26-18(17)11-3-4-11/h1-2,5-11H,3-4H2,(H,22,24,25)
InChIKeyJDLIQIUDELHLFR-UHFFFAOYSA-N
XLogP4.09
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine (CID 6539446) is 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F.
What is the InChIKey of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine?
The InChIKey is JDLIQIUDELHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6/c20-13-6-5-12(10-14(13)21)24-19-22-9-7-15(25-19)17-16-2-1-8-23-27(16)26-18(17)11-3-4-11/h1-2,5-11H,3-4H2,(H,22,24,25).
What are the key properties of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine?
4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine has a molecular weight of 364.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-(3,4-difluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 6539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).