N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide

C21H24N6O4S — CID 122310016

IUPACN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O4S/c1-15-23-19(27-11-3-10-22-27)14-20(24-15)31-18-6-4-17(5-7-18)25-21(28)16-8-12-26(13-9-16)32(2,29)30/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyAIKICDWMPVSETG-UHFFFAOYSA-N
MW456.53 g/mol
LogP2.37
Rot. Bonds6

About N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 122310016) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID122310016
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O4S/c1-15-23-19(27-11-3-10-22-27)14-20(24-15)31-18-6-4-17(5-7-18)25-21(28)16-8-12-26(13-9-16)32(2,29)30/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyAIKICDWMPVSETG-UHFFFAOYSA-N
XLogP2.37
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122310132
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
4-acetyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310235
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 122310016) is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1nc(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc(-n2cccn2)n1.
What is the InChIKey of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is AIKICDWMPVSETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-15-23-19(27-11-3-10-22-27)14-20(24-15)31-18-6-4-17(5-7-18)25-21(28)16-8-12-26(13-9-16)32(2,29)30/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 122310016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).