6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C16H21N5O3S — CID 126941621

IUPAC6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C16H21N5O3S/c22-16-7-14(13-1-2-13)19-11-20(16)9-12-3-5-21(6-4-12)25(23,24)15-8-17-10-18-15/h7-8,10-13H,1-6,9H2,(H,17,18)
InChIKeyFHMZRFQLRNFZDW-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.94
Rot. Bonds5

About 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941621) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941621
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C16H21N5O3S/c22-16-7-14(13-1-2-13)19-11-20(16)9-12-3-5-21(6-4-12)25(23,24)15-8-17-10-18-15/h7-8,10-13H,1-6,9H2,(H,17,18)
InChIKeyFHMZRFQLRNFZDW-UHFFFAOYSA-N
XLogP0.94
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
CID 126941615
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119963875
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
6-cyclopropyl-3-[[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941809
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941906
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941926
6-cyclopropyl-3-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941670
6-cyclopropyl-3-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941807
3-[[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]methyl]-6-cyclopropylpyrimidin-4-one
CID 126941709

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941621) is 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is FHMZRFQLRNFZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c22-16-7-14(13-1-2-13)19-11-20(16)9-12-3-5-21(6-4-12)25(23,24)15-8-17-10-18-15/h7-8,10-13H,1-6,9H2,(H,17,18).
What are the key properties of 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 363.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).