(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C20H24N4O2S — CID 154830749

IUPAC(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CC2CN(c3nccs3)CC2C1
InChIInChI=1S/C20H24N4O2S/c25-19(14-5-6-18(22-9-14)26-17-3-1-2-4-17)23-10-15-12-24(13-16(15)11-23)20-21-7-8-27-20/h5-9,15-17H,1-4,10-13H2
InChIKeyIVURSGJKBFKOPL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.07
Rot. Bonds4

About (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 154830749) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID154830749
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CC2CN(c3nccs3)CC2C1
InChIInChI=1S/C20H24N4O2S/c25-19(14-5-6-18(22-9-14)26-17-3-1-2-4-17)23-10-15-12-24(13-16(15)11-23)20-21-7-8-27-20/h5-9,15-17H,1-4,10-13H2
InChIKeyIVURSGJKBFKOPL-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 154830749) is (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is O=C(c1ccc(OC2CCCC2)nc1)N1CC2CN(c3nccs3)CC2C1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is IVURSGJKBFKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-19(14-5-6-18(22-9-14)26-17-3-1-2-4-17)23-10-15-12-24(13-16(15)11-23)20-21-7-8-27-20/h5-9,15-17H,1-4,10-13H2.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
(6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 384.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 154830749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).