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

C22H26N6O5S — CID 136636514

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C22H26N6O5S/c1-4-18-15(3)23-22(25-21(18)30)28-19(13-14(2)26-28)24-20(29)16-5-7-17(8-6-16)34(31,32)27-9-11-33-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,24,29)(H,23,25,30)
InChIKeyYXKBVMANLSWMQG-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.41
Rot. Bonds6

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

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 136636514) has the molecular formula C22H26N6O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID136636514
Molecular FormulaC22H26N6O5S
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C22H26N6O5S/c1-4-18-15(3)23-22(25-21(18)30)28-19(13-14(2)26-28)24-20(29)16-5-7-17(8-6-16)34(31,32)27-9-11-33-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,24,29)(H,23,25,30)
InChIKeyYXKBVMANLSWMQG-UHFFFAOYSA-N
XLogP1.41
TPSA139.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136604816
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 136636542
ethyl N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 135551754
4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 135551631
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 136636820
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 136615114
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 136636519
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 136636514) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YXKBVMANLSWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5S/c1-4-18-15(3)23-22(25-21(18)30)28-19(13-14(2)26-28)24-20(29)16-5-7-17(8-6-16)34(31,32)27-9-11-33-12-10-27/h5-8,13H,4,9-12H2,1-3H3,(H,24,29)(H,23,25,30).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 486.55 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 136636514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).