N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C24H31N5O3S — CID 33181815

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c(C)n2n1
InChIInChI=1S/C24H31N5O3S/c1-16-8-9-20(15-22(16)33(31,32)28-12-6-5-7-13-28)26-24(30)11-10-21-18(3)25-23-14-17(2)27-29(23)19(21)4/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,26,30)
InChIKeyJXCHKVHTPMAHDT-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.71
Rot. Bonds6

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 33181815) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID33181815
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c(C)n2n1
InChIInChI=1S/C24H31N5O3S/c1-16-8-9-20(15-22(16)33(31,32)28-12-6-5-7-13-28)26-24(30)11-10-21-18(3)25-23-14-17(2)27-29(23)19(21)4/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,26,30)
InChIKeyJXCHKVHTPMAHDT-UHFFFAOYSA-N
XLogP3.71
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17454590
N-(5-acetamido-2-methylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55692086
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33182512
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24501895
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46634625

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 33181815) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c(C)n2n1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is JXCHKVHTPMAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-16-8-9-20(15-22(16)33(31,32)28-12-6-5-7-13-28)26-24(30)11-10-21-18(3)25-23-14-17(2)27-29(23)19(21)4/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,26,30).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 469.61 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 33181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).