N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C16H24N6O2S — CID 133405566

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1c(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C
InChIInChI=1S/C16H24N6O2S/c1-13-14(11-19-21(13)3)10-17-16-5-4-15(12-18-16)25(23,24)22-8-6-20(2)7-9-22/h4-5,11-12H,6-10H2,1-3H3,(H,17,18)
InChIKeyXGIAGXRRDOTGNI-UHFFFAOYSA-N
MW364.48 g/mol
LogP0.67
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133405566) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133405566
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1c(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C
InChIInChI=1S/C16H24N6O2S/c1-13-14(11-19-21(13)3)10-17-16-5-4-15(12-18-16)25(23,24)22-8-6-20(2)7-9-22/h4-5,11-12H,6-10H2,1-3H3,(H,17,18)
InChIKeyXGIAGXRRDOTGNI-UHFFFAOYSA-N
XLogP0.67
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
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6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
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Gsk8612
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1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
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Arylpyrazole, 25
CID 44143425
4-[[4-[5,5-Dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
CID 145988090
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
6-(4-cyano-3-(difluoromethyl)-5-((cis)-3,5-dimethylpiperidin-1-yl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 10112226
6-(4-cyano-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
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US9156811, Ddd85624
CID 57393582

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133405566) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is Cc1c(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is XGIAGXRRDOTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-13-14(11-19-21(13)3)10-17-16-5-4-15(12-18-16)25(23,24)22-8-6-20(2)7-9-22/h4-5,11-12H,6-10H2,1-3H3,(H,17,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 364.48 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133405566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).