[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

C18H24F2N6O2 — CID 126788388

IUPAC[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(C)C)nc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)n1
InChIInChI=1S/C18H24F2N6O2/c1-11(2)13-9-12(3)21-18(22-13)26-7-5-25(6-8-26)16(27)14-10-15(24(4)23-14)28-17(19)20/h9-11,17H,5-8H2,1-4H3
InChIKeyLGIGYAOITIPMJK-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.21
Rot. Bonds5

About [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 126788388) has the molecular formula C18H24F2N6O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID126788388
Molecular FormulaC18H24F2N6O2
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(C)C)nc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)n1
InChIInChI=1S/C18H24F2N6O2/c1-11(2)13-9-12(3)21-18(22-13)26-7-5-25(6-8-26)16(27)14-10-15(24(4)23-14)28-17(19)20/h9-11,17H,5-8H2,1-4H3
InChIKeyLGIGYAOITIPMJK-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 126788388) is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is Cc1cc(C(C)C)nc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)n1.
What is the InChIKey of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is LGIGYAOITIPMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N6O2/c1-11(2)13-9-12(3)21-18(22-13)26-7-5-25(6-8-26)16(27)14-10-15(24(4)23-14)28-17(19)20/h9-11,17H,5-8H2,1-4H3.
What are the key properties of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 394.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126788388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).