(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C17H19N3OS — CID 167982186

IUPAC(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESNc1ncc2c(c1C(=O)N1CCCC1c1cccs1)CCC2
InChIInChI=1S/C17H19N3OS/c18-16-15(12-5-1-4-11(12)10-19-16)17(21)20-8-2-6-13(20)14-7-3-9-22-14/h3,7,9-10,13H,1-2,4-6,8H2,(H2,18,19)
InChIKeyQIZSINYHFCWZHP-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.19
Rot. Bonds2

About (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 167982186) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID167982186
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESNc1ncc2c(c1C(=O)N1CCCC1c1cccs1)CCC2
InChIInChI=1S/C17H19N3OS/c18-16-15(12-5-1-4-11(12)10-19-16)17(21)20-8-2-6-13(20)14-7-3-9-22-14/h3,7,9-10,13H,1-2,4-6,8H2,(H2,18,19)
InChIKeyQIZSINYHFCWZHP-UHFFFAOYSA-N
XLogP3.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115824
(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30906678
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 167982186) is (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is Nc1ncc2c(c1C(=O)N1CCCC1c1cccs1)CCC2.
What is the InChIKey of (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is QIZSINYHFCWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-16-15(12-5-1-4-11(12)10-19-16)17(21)20-8-2-6-13(20)14-7-3-9-22-14/h3,7,9-10,13H,1-2,4-6,8H2,(H2,18,19).
What are the key properties of (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 313.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 167982186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).