1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone

C17H21N3OS — CID 177202410

IUPAC1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(NC3CCC4CN(C)CC43)nc2s1
InChIInChI=1S/C17H21N3OS/c1-10(21)15-7-11-4-6-16(19-17(11)22-15)18-14-5-3-12-8-20(2)9-13(12)14/h4,6-7,12-14H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyQACLOMZBAOCGGK-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.25
Rot. Bonds3

About 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone

1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 177202410) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID177202410
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(NC3CCC4CN(C)CC43)nc2s1
InChIInChI=1S/C17H21N3OS/c1-10(21)15-7-11-4-6-16(19-17(11)22-15)18-14-5-3-12-8-20(2)9-13(12)14/h4,6-7,12-14H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyQACLOMZBAOCGGK-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone (CID 177202410) is 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1cc2ccc(NC3CCC4CN(C)CC43)nc2s1.
What is the InChIKey of 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is QACLOMZBAOCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-10(21)15-7-11-4-6-16(19-17(11)22-15)18-14-5-3-12-8-20(2)9-13(12)14/h4,6-7,12-14H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone?
1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 315.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]thieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 177202410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).