6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one

C19H22F3N5O3 — CID 126943425

IUPAC6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)ccc1=O
InChIInChI=1S/C19H22F3N5O3/c1-12(2)27-16(28)4-3-14(24-27)18(30)25-7-5-13(6-8-25)10-26-11-23-15(9-17(26)29)19(20,21)22/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeySORGPZNUDMNSRZ-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.95
Rot. Bonds4

About 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one

6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one (PubChem CID 126943425) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one
PubChem CID126943425
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)ccc1=O
InChIInChI=1S/C19H22F3N5O3/c1-12(2)27-16(28)4-3-14(24-27)18(30)25-7-5-13(6-8-25)10-26-11-23-15(9-17(26)29)19(20,21)22/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeySORGPZNUDMNSRZ-UHFFFAOYSA-N
XLogP1.95
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

3-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943369
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943354
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943364
3-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943751
6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
CID 42161847
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943661
3-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943482
3-[[1-(4-phenyloxane-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943372
3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943687
3-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943532
3-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]methyl]-6-tert-butylpyrimidin-4-one
CID 126944215
3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943784

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one (CID 126943425) is 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)ccc1=O.
What is the InChIKey of 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is SORGPZNUDMNSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-12(2)27-16(28)4-3-14(24-27)18(30)25-7-5-13(6-8-25)10-26-11-23-15(9-17(26)29)19(20,21)22/h3-4,9,11-13H,5-8,10H2,1-2H3.
What are the key properties of 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one?
6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 425.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carbonyl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 126943425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).