5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine

C19H17NO2S2 — CID 134843515

IUPAC5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine
SMILESCc1ccc(-c2cc3c(s2)C2(OCCc4ccsc42)OCC3)nc1
InChIInChI=1S/C19H17NO2S2/c1-12-2-3-15(20-11-12)16-10-14-5-8-22-19(18(14)24-16)17-13(4-7-21-19)6-9-23-17/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyKNTWNHJBQSXVAE-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.53
Rot. Bonds1

About 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine

5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine (PubChem CID 134843515) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine
PubChem CID134843515
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine
SMILESCc1ccc(-c2cc3c(s2)C2(OCCc4ccsc42)OCC3)nc1
InChIInChI=1S/C19H17NO2S2/c1-12-2-3-15(20-11-12)16-10-14-5-8-22-19(18(14)24-16)17-13(4-7-21-19)6-9-23-17/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyKNTWNHJBQSXVAE-UHFFFAOYSA-N
XLogP4.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-Benzyl-6-methoxy-1-pyridin-3-ylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56652566
1'-Benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70677392
1'-[(1-Methylindol-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989302
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 135360653
1'-[[2,5-Dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145991098
5-(1,4-Dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine
CID 155517408
2-(5-Fluoro-1-benzothiophen-7-yl)-4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pyridine
CID 89907686
2-(1-Benzothiophen-7-yl)-4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]pyridine
CID 89908156
(3S,3'S,4'S,6'R)-6-fluoro-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol
CID 134469412
(3R)-6-fluoro-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-4'-ol
CID 134469414
(3S,3'R,4'S,5'S,6'R)-6-fluoro-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 135360651
2-(7,7'-Spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyrimidine
CID 134843513

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine?
The IUPAC name of 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine (CID 134843515) is 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine.
What is the SMILES notation for 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine?
The canonical SMILES for 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine is Cc1ccc(-c2cc3c(s2)C2(OCCc4ccsc42)OCC3)nc1.
What is the InChIKey of 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine?
The InChIKey is KNTWNHJBQSXVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c1-12-2-3-15(20-11-12)16-10-14-5-8-22-19(18(14)24-16)17-13(4-7-21-19)6-9-23-17/h2-3,6,9-11H,4-5,7-8H2,1H3.
What are the key properties of 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine?
5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine has a molecular weight of 355.48 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyridine is sourced from PubChem (CID 134843515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).