N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide

C23H25N5O3S — CID 71812166

IUPACN-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2c(C)nn(C(=O)c3ccc(N4CCOCC4)nc3)c2C)cc1
InChIInChI=1S/C23H25N5O3S/c1-15-22(32-20-7-5-19(6-8-20)25-17(3)29)16(2)28(26-15)23(30)18-4-9-21(24-14-18)27-10-12-31-13-11-27/h4-9,14H,10-13H2,1-3H3,(H,25,29)
InChIKeyKMUGUEZWUJOESX-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.53
Rot. Bonds5

About N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide

N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide (PubChem CID 71812166) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide
PubChem CID71812166
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2c(C)nn(C(=O)c3ccc(N4CCOCC4)nc3)c2C)cc1
InChIInChI=1S/C23H25N5O3S/c1-15-22(32-20-7-5-19(6-8-20)25-17(3)29)16(2)28(26-15)23(30)18-4-9-21(24-14-18)27-10-12-31-13-11-27/h4-9,14H,10-13H2,1-3H3,(H,25,29)
InChIKeyKMUGUEZWUJOESX-UHFFFAOYSA-N
XLogP3.53
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 154778636
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 30091077
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 46339991

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide (CID 71812166) is N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2c(C)nn(C(=O)c3ccc(N4CCOCC4)nc3)c2C)cc1.
What is the InChIKey of N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide?
The InChIKey is KMUGUEZWUJOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15-22(32-20-7-5-19(6-8-20)25-17(3)29)16(2)28(26-15)23(30)18-4-9-21(24-14-18)27-10-12-31-13-11-27/h4-9,14H,10-13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide?
N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 71812166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).