5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine

C19H24F2N6 — CID 144833779

IUPAC5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine
SMILESCC(F)C1=NC=C(CN2CCN3NC(c4ncccc4F)C=C3C2)CN1C
InChIInChI=1S/C19H24F2N6/c1-13(20)19-23-9-14(10-25(19)2)11-26-6-7-27-15(12-26)8-17(24-27)18-16(21)4-3-5-22-18/h3-5,8-9,13,17,24H,6-7,10-12H2,1-2H3
InChIKeyXJEMMSNVIYQJPD-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.87
Rot. Bonds4

About 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine

5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine (PubChem CID 144833779) has the molecular formula C19H24F2N6 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine
PubChem CID144833779
Molecular FormulaC19H24F2N6
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine
SMILESCC(F)C1=NC=C(CN2CCN3NC(c4ncccc4F)C=C3C2)CN1C
InChIInChI=1S/C19H24F2N6/c1-13(20)19-23-9-14(10-25(19)2)11-26-6-7-27-15(12-26)8-17(24-27)18-16(21)4-3-5-22-18/h3-5,8-9,13,17,24H,6-7,10-12H2,1-2H3
InChIKeyXJEMMSNVIYQJPD-UHFFFAOYSA-N
XLogP1.87
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine (CID 144833779) is 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine is CC(F)C1=NC=C(CN2CCN3NC(c4ncccc4F)C=C3C2)CN1C.
What is the InChIKey of 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine?
The InChIKey is XJEMMSNVIYQJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6/c1-13(20)19-23-9-14(10-25(19)2)11-26-6-7-27-15(12-26)8-17(24-27)18-16(21)4-3-5-22-18/h3-5,8-9,13,17,24H,6-7,10-12H2,1-2H3.
What are the key properties of 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine?
5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine has a molecular weight of 374.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-fluoroethyl)-3-methyl-4H-pyrimidin-5-yl]methyl]-2-(3-fluoro-2-pyridinyl)-2,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 144833779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).