[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone

C16H20F2N6O2 — CID 171328825

IUPAC[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)ncn1
InChIInChI=1S/C16H20F2N6O2/c1-23-8-11(14(22-23)15(17)18)16(25)24-5-3-10(4-6-24)21-12-7-13(26-2)20-9-19-12/h7-10,15H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyDVILPNPEEOJTRF-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.87
Rot. Bonds5

About [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone

[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 171328825) has the molecular formula C16H20F2N6O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID171328825
Molecular FormulaC16H20F2N6O2
Molecular Weight366.37 g/mol
Exact Mass366.16
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)ncn1
InChIInChI=1S/C16H20F2N6O2/c1-23-8-11(14(22-23)15(17)18)16(25)24-5-3-10(4-6-24)21-12-7-13(26-2)20-9-19-12/h7-10,15H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyDVILPNPEEOJTRF-UHFFFAOYSA-N
XLogP1.87
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 171328825) is [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone is COc1cc(NC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)ncn1.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is DVILPNPEEOJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O2/c1-23-8-11(14(22-23)15(17)18)16(25)24-5-3-10(4-6-24)21-12-7-13(26-2)20-9-19-12/h7-10,15H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 366.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-4-yl]-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 171328825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).