5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H20FN7 — CID 155798869

IUPAC5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C18H20FN7/c1-12-16(19)18(23-17(21-12)13-2-3-13)25-10-8-24(9-11-25)14-5-7-26-15(22-14)4-6-20-26/h4-7,13H,2-3,8-11H2,1H3
InChIKeyZHWCKEMLFBPJPQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.17
Rot. Bonds3

About 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155798869) has the molecular formula C18H20FN7 and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155798869
Molecular FormulaC18H20FN7
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC Name5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C18H20FN7/c1-12-16(19)18(23-17(21-12)13-2-3-13)25-10-8-24(9-11-25)14-5-7-26-15(22-14)4-6-20-26/h4-7,13H,2-3,8-11H2,1H3
InChIKeyZHWCKEMLFBPJPQ-UHFFFAOYSA-N
XLogP2.17
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155798869) is 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1nc(C2CC2)nc(N2CCN(c3ccn4nccc4n3)CC2)c1F.
What is the InChIKey of 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZHWCKEMLFBPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7/c1-12-16(19)18(23-17(21-12)13-2-3-13)25-10-8-24(9-11-25)14-5-7-26-15(22-14)4-6-20-26/h4-7,13H,2-3,8-11H2,1H3.
What are the key properties of 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 353.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155798869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).