5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile

C17H15ClN4OS2 — CID 130282847

IUPAC5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(Cl)c(C3CS(=O)C4(CCC4)C(N)=N3)s2)c1
InChIInChI=1S/C17H15ClN4OS2/c18-12-5-14(11-4-10(6-19)7-21-8-11)24-15(12)13-9-25(23)17(2-1-3-17)16(20)22-13/h4-5,7-8,13H,1-3,9H2,(H2,20,22)
InChIKeyKANXXHOBYFNVNY-UHFFFAOYSA-N
MW390.92 g/mol
LogP3.42
Rot. Bonds2

About 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile

5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile (PubChem CID 130282847) has the molecular formula C17H15ClN4OS2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile
PubChem CID130282847
Molecular FormulaC17H15ClN4OS2
Molecular Weight390.92 g/mol
Exact Mass390.04
IUPAC Name5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(Cl)c(C3CS(=O)C4(CCC4)C(N)=N3)s2)c1
InChIInChI=1S/C17H15ClN4OS2/c18-12-5-14(11-4-10(6-19)7-21-8-11)24-15(12)13-9-25(23)17(2-1-3-17)16(20)22-13/h4-5,7-8,13H,1-3,9H2,(H2,20,22)
InChIKeyKANXXHOBYFNVNY-UHFFFAOYSA-N
XLogP3.42
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

8-[3-chloro-5-(5-ethyl-3-pyridinyl)thiophen-2-yl]-6-oxo-2-oxa-6λ4-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 130283666
5-[(6S)-8-amino-4-oxo-4λ4-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-fluoro-2-pyridinyl)thiophene-2-carboxamide;ethane
CID 144539010
5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134636778
7-[2-fluoro-5-(5-pyridin-3-yl-1,2-dihydrotriazol-3-yl)phenyl]-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 144539020
(3S)-3-[3-chloro-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 158111900
5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
CID 59982887
3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzonitrile;ethane
CID 145045690
(4S)-4-[3-chloro-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 134188292
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
CID 138673708
5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
CID 102294012
4a-[3-chloro-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-2-methyl-1,1-dioxo-5,6,7,8a-tetrahydropyrano[3,2-e][1,2,4]thiadiazin-3-amine
CID 123347257
3-chloro-5-(5-chloro-3-pyridinyl)thiophen-2-amine
CID 91093923

Frequently Asked Questions

What is the IUPAC name of 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile (CID 130282847) is 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cc(Cl)c(C3CS(=O)C4(CCC4)C(N)=N3)s2)c1.
What is the InChIKey of 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile?
The InChIKey is KANXXHOBYFNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS2/c18-12-5-14(11-4-10(6-19)7-21-8-11)24-15(12)13-9-25(23)17(2-1-3-17)16(20)22-13/h4-5,7-8,13H,1-3,9H2,(H2,20,22).
What are the key properties of 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile?
5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile has a molecular weight of 390.92 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(9-amino-5-oxo-5λ4-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-chlorothiophen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 130282847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).