[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone

C22H24N4O3S — CID 170507708

IUPAC[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3ccn(C)n3)CC2)nc1
InChIInChI=1S/C22H24N4O3S/c1-25-9-5-18(24-25)21(27)26-10-7-22(8-11-26)16-13-20(30-19(16)6-12-29-22)17-4-3-15(28-2)14-23-17/h3-5,9,13-14H,6-8,10-12H2,1-2H3
InChIKeyZBHQBRMDIZELJH-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.26
Rot. Bonds3

About [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone

[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 170507708) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID170507708
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3ccn(C)n3)CC2)nc1
InChIInChI=1S/C22H24N4O3S/c1-25-9-5-18(24-25)21(27)26-10-7-22(8-11-26)16-13-20(30-19(16)6-12-29-22)17-4-3-15(28-2)14-23-17/h3-5,9,13-14H,6-8,10-12H2,1-2H3
InChIKeyZBHQBRMDIZELJH-UHFFFAOYSA-N
XLogP3.26
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 170503122
2-(dimethylamino)-1-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanone
CID 170505539
5-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyrrole-3-carbonitrile
CID 170513012
4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
CID 170510068
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone
CID 170508571
1'-[(2,3-dimethylimidazol-4-yl)methyl]-2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170506266
6-[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 170508626
(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 170510060
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 170507373
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone
CID 170512477
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 155990699
1'-(5-methoxy-1-methyl-1,2,4-triazole-3-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691982

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone (CID 170507708) is [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone is COc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3ccn(C)n3)CC2)nc1.
What is the InChIKey of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is ZBHQBRMDIZELJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-25-9-5-18(24-25)21(27)26-10-7-22(8-11-26)16-13-20(30-19(16)6-12-29-22)17-4-3-15(28-2)14-23-17/h3-5,9,13-14H,6-8,10-12H2,1-2H3.
What are the key properties of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 424.53 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 170507708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).