6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C21H24F2N8O — CID 166061376

IUPAC6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccnc(Nc2cc(N3CC4(CCNCC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C21H24F2N8O/c1-30-10-14(9-26-30)19-28-17(27-16-7-15(32-2)3-5-25-16)8-18(29-19)31-12-20(13-31)4-6-24-11-21(20,22)23/h3,5,7-10,24H,4,6,11-13H2,1-2H3,(H,25,27,28,29)
InChIKeyDDHBGPQJJDBMSY-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.46
Rot. Bonds5

About 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 166061376) has the molecular formula C21H24F2N8O and a molecular weight of 442.47 g/mol. Its IUPAC name is 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID166061376
Molecular FormulaC21H24F2N8O
Molecular Weight442.47 g/mol
Exact Mass442.20
IUPAC Name6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccnc(Nc2cc(N3CC4(CCNCC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C21H24F2N8O/c1-30-10-14(9-26-30)19-28-17(27-16-7-15(32-2)3-5-25-16)8-18(29-19)31-12-20(13-31)4-6-24-11-21(20,22)23/h3,5,7-10,24H,4,6,11-13H2,1-2H3,(H,25,27,28,29)
InChIKeyDDHBGPQJJDBMSY-UHFFFAOYSA-N
XLogP2.46
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 166061376) is 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is COc1ccnc(Nc2cc(N3CC4(CCNCC4(F)F)C3)nc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is DDHBGPQJJDBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N8O/c1-30-10-14(9-26-30)19-28-17(27-16-7-15(32-2)3-5-25-16)8-18(29-19)31-12-20(13-31)4-6-24-11-21(20,22)23/h3,5,7-10,24H,4,6,11-13H2,1-2H3,(H,25,27,28,29).
What are the key properties of 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 442.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-N-(4-methoxy-2-pyridinyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 166061376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).