6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile

C20H26N6O2S — CID 154831318

IUPAC6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC2CN(c3ccc(C#N)cn3)CC21
InChIInChI=1S/C20H26N6O2S/c1-13(2)26-15(4)20(14(3)23-26)29(27,28)25-8-7-17-11-24(12-18(17)25)19-6-5-16(9-21)10-22-19/h5-6,10,13,17-18H,7-8,11-12H2,1-4H3
InChIKeyUHUATFGLVDSWHR-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.25
Rot. Bonds4

About 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile

6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile (PubChem CID 154831318) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
PubChem CID154831318
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC2CN(c3ccc(C#N)cn3)CC21
InChIInChI=1S/C20H26N6O2S/c1-13(2)26-15(4)20(14(3)23-26)29(27,28)25-8-7-17-11-24(12-18(17)25)19-6-5-16(9-21)10-22-19/h5-6,10,13,17-18H,7-8,11-12H2,1-4H3
InChIKeyUHUATFGLVDSWHR-UHFFFAOYSA-N
XLogP2.25
TPSA95.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 53078958
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-[1-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
CID 154830528
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23763505
6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 155798913
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
CID 131934907
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile (CID 154831318) is 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC2CN(c3ccc(C#N)cn3)CC21.
What is the InChIKey of 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The InChIKey is UHUATFGLVDSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-13(2)26-15(4)20(14(3)23-26)29(27,28)25-8-7-17-11-24(12-18(17)25)19-6-5-16(9-21)10-22-19/h5-6,10,13,17-18H,7-8,11-12H2,1-4H3.
What are the key properties of 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile has a molecular weight of 414.54 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154831318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).