[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone

C20H26F2N6O2 — CID 95799246

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C20H26F2N6O2/c1-13-14(2)23-17(24-18(13)26-9-11-30-12-10-26)15-3-6-27(7-4-15)19(29)16-5-8-28(25-16)20(21)22/h5,8,15,20H,3-4,6-7,9-12H2,1-2H3
InChIKeyCAALAXPQGJREDL-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.54
Rot. Bonds4

About [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 95799246) has the molecular formula C20H26F2N6O2 and a molecular weight of 420.46 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID95799246
Molecular FormulaC20H26F2N6O2
Molecular Weight420.46 g/mol
Exact Mass420.21
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C20H26F2N6O2/c1-13-14(2)23-17(24-18(13)26-9-11-30-12-10-26)15-3-6-27(7-4-15)19(29)16-5-8-28(25-16)20(21)22/h5,8,15,20H,3-4,6-7,9-12H2,1-2H3
InChIKeyCAALAXPQGJREDL-UHFFFAOYSA-N
XLogP2.54
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone (CID 95799246) is [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is CAALAXPQGJREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N6O2/c1-13-14(2)23-17(24-18(13)26-9-11-30-12-10-26)15-3-6-27(7-4-15)19(29)16-5-8-28(25-16)20(21)22/h5,8,15,20H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 420.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95799246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).