5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H26N6O2S — CID 126932019

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC2CN(c3cc(C(C)C)ncn3)CC2C1
InChIInChI=1S/C18H26N6O2S/c1-11(2)16-5-17(20-10-19-16)23-6-14-8-24(9-15(14)7-23)27(25,26)18-12(3)21-22-13(18)4/h5,10-11,14-15H,6-9H2,1-4H3,(H,21,22)
InChIKeyCLQCIDLUBFAMKT-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.70
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932019) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932019
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC2CN(c3cc(C(C)C)ncn3)CC2C1
InChIInChI=1S/C18H26N6O2S/c1-11(2)16-5-17(20-10-19-16)23-6-14-8-24(9-15(14)7-23)27(25,26)18-12(3)21-22-13(18)4/h5,10-11,14-15H,6-9H2,1-4H3,(H,21,22)
InChIKeyCLQCIDLUBFAMKT-UHFFFAOYSA-N
XLogP1.70
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932019) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1n[nH]c(C)c1S(=O)(=O)N1CC2CN(c3cc(C(C)C)ncn3)CC2C1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is CLQCIDLUBFAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-11(2)16-5-17(20-10-19-16)23-6-14-8-24(9-15(14)7-23)27(25,26)18-12(3)21-22-13(18)4/h5,10-11,14-15H,6-9H2,1-4H3,(H,21,22).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 390.51 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).