4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one

C16H19N7O2 — CID 59603639

IUPAC4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
SMILESCOC1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1
InChIInChI=1S/C16H19N7O2/c1-25-12-3-2-5-21(9-12)14-7-15(19-10-18-14)23-16(24)13(8-20-23)22-6-4-17-11-22/h4,6-8,10-12,20H,2-3,5,9H2,1H3
InChIKeyQAYFFINJEBFRDQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.76
Rot. Bonds4

About 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one

4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one (PubChem CID 59603639) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
PubChem CID59603639
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
SMILESCOC1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1
InChIInChI=1S/C16H19N7O2/c1-25-12-3-2-5-21(9-12)14-7-15(19-10-18-14)23-16(24)13(8-20-23)22-6-4-17-11-22/h4,6-8,10-12,20H,2-3,5,9H2,1H3
InChIKeyQAYFFINJEBFRDQ-UHFFFAOYSA-N
XLogP0.76
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one with MolForge

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Related Compounds

Molidustat
CID 59603622
2-[6-(4-Cyclobutylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464370
2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603564
4-(1H-Imidazol-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 59603655
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603543
2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464864
2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464865
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603621
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603663
4-(1H-Imidazol-1-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1,2-dihydro-3H-pyrazol-3-one trifluoroacetate
CID 67455675
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one;hydrochloride
CID 67457236
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one;hydrochloride
CID 67457646

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one?
The IUPAC name of 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one (CID 59603639) is 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one?
The canonical SMILES for 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one is COC1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1.
What is the InChIKey of 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one?
The InChIKey is QAYFFINJEBFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-25-12-3-2-5-21(9-12)14-7-15(19-10-18-14)23-16(24)13(8-20-23)22-6-4-17-11-22/h4,6-8,10-12,20H,2-3,5,9H2,1H3.
What are the key properties of 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one?
4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one has a molecular weight of 341.38 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 59603639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).