N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide

C23H22N6O5S2 — CID 136604816

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H22N6O5S2/c1-15-13-21(30)26-23(24-15)29-20(14-18(27-29)19-3-2-12-35-19)25-22(31)16-4-6-17(7-5-16)36(32,33)28-8-10-34-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,24,26,30)
InChIKeyHUFNOEYUTTYEEC-UHFFFAOYSA-N
MW526.60 g/mol
LogP2.27
Rot. Bonds6

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 136604816) has the molecular formula C23H22N6O5S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID136604816
Molecular FormulaC23H22N6O5S2
Molecular Weight526.60 g/mol
Exact Mass526.11
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H22N6O5S2/c1-15-13-21(30)26-23(24-15)29-20(14-18(27-29)19-3-2-12-35-19)25-22(31)16-4-6-17(7-5-16)36(32,33)28-8-10-34-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,24,26,30)
InChIKeyHUFNOEYUTTYEEC-UHFFFAOYSA-N
XLogP2.27
TPSA139.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136636502
3,4,5-trimethoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912404
3-(dimethylamino)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636628
2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide
CID 136636634
4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136604954
4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605777
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 136636644
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136636514
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136604738
2-ethylsulfanyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912450
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636632

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 136604816) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HUFNOEYUTTYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S2/c1-15-13-21(30)26-23(24-15)29-20(14-18(27-29)19-3-2-12-35-19)25-22(31)16-4-6-17(7-5-16)36(32,33)28-8-10-34-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,24,26,30).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 526.60 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 136604816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).