N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide

C22H24N6O4S — CID 73451706

IUPACN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)N=C1C
InChIInChI=1S/C22H24N6O4S/c1-14-13-19(28(26-14)22-23-16(3)15(2)20(29)25-22)24-21(30)17-7-9-18(10-8-17)33(31,32)27-11-5-4-6-12-27/h7-10,13H,2,4-6,11-12H2,1,3H3,(H,24,30)
InChIKeyPGDJEFUOUUGHNO-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.38
Rot. Bonds4

About N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 73451706) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID73451706
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC NameN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)N=C1C
InChIInChI=1S/C22H24N6O4S/c1-14-13-19(28(26-14)22-23-16(3)15(2)20(29)25-22)24-21(30)17-7-9-18(10-8-17)33(31,32)27-11-5-4-6-12-27/h7-10,13H,2,4-6,11-12H2,1,3H3,(H,24,30)
InChIKeyPGDJEFUOUUGHNO-UHFFFAOYSA-N
XLogP2.38
TPSA126.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 73451704
4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453
N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 44907813
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
2-methyl-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 78715121
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2148503
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-[(2-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339957
3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507070
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136636502

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 73451706) is N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide is C=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)N=C1C.
What is the InChIKey of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PGDJEFUOUUGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-14-13-19(28(26-14)22-23-16(3)15(2)20(29)25-22)24-21(30)17-7-9-18(10-8-17)33(31,32)27-11-5-4-6-12-27/h7-10,13H,2,4-6,11-12H2,1,3H3,(H,24,30).
What are the key properties of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 468.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 73451706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).