4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C18H20F2N8 — CID 154829246

IUPAC4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)ncnc21
InChIInChI=1S/C18H20F2N8/c1-26-17-12(9-23-26)18(22-10-21-17)28-6-4-27(5-7-28)14-8-13(15(19)20)24-16(25-14)11-2-3-11/h8-11,15H,2-7H2,1H3
InChIKeyRIYUIFINBKETLZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.29
Rot. Bonds4

About 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 154829246) has the molecular formula C18H20F2N8 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID154829246
Molecular FormulaC18H20F2N8
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)ncnc21
InChIInChI=1S/C18H20F2N8/c1-26-17-12(9-23-26)18(22-10-21-17)28-6-4-27(5-7-28)14-8-13(15(19)20)24-16(25-14)11-2-3-11/h8-11,15H,2-7H2,1H3
InChIKeyRIYUIFINBKETLZ-UHFFFAOYSA-N
XLogP2.29
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155798905
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 166340886
1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 155942665
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 154829246) is 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)ncnc21.
What is the InChIKey of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is RIYUIFINBKETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N8/c1-26-17-12(9-23-26)18(22-10-21-17)28-6-4-27(5-7-28)14-8-13(15(19)20)24-16(25-14)11-2-3-11/h8-11,15H,2-7H2,1H3.
What are the key properties of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 386.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 154829246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).