1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine

C20H30N6O2S — CID 86902816

IUPAC1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H30N6O2S/c1-15-20(16(2)24(4)22-15)18-6-5-9-26(18)19-8-7-17(14-21-19)29(27,28)25-12-10-23(3)11-13-25/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyMAMVITATJHKPPG-UHFFFAOYSA-N
MW418.57 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine (PubChem CID 86902816) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
PubChem CID86902816
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC Name1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H30N6O2S/c1-15-20(16(2)24(4)22-15)18-6-5-9-26(18)19-8-7-17(14-21-19)29(27,28)25-12-10-23(3)11-13-25/h7-8,14,18H,5-6,9-13H2,1-4H3
InChIKeyMAMVITATJHKPPG-UHFFFAOYSA-N
XLogP1.71
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine with MolForge

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Related Compounds

4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 86902815
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 133406857
2,3-dimethyl-4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]thiomorpholine
CID 133309167
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
4-methyl-6-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95764333
1,3,5-trimethyl-4-[1-(3-methylsulfonyl-4-nitrophenyl)pyrrolidin-2-yl]pyrazole
CID 133401505

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine (CID 86902816) is 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine is Cc1nn(C)c(C)c1C1CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is MAMVITATJHKPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-15-20(16(2)24(4)22-15)18-6-5-9-26(18)19-8-7-17(14-21-19)29(27,28)25-12-10-23(3)11-13-25/h7-8,14,18H,5-6,9-13H2,1-4H3.
What are the key properties of 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 418.57 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 86902816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).