[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone

C25H29N3O2S — CID 170512887

IUPAC[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)n1
InChIInChI=1S/C25H29N3O2S/c26-20-3-1-2-17(27-20)19-13-16-18(31-19)6-11-30-25(16)7-9-28(10-8-25)24(29)23-21-14-4-5-15(12-14)22(21)23/h1-3,13-15,21-23H,4-12H2,(H2,26,27)/t14-,15+,21+,22-,23?
InChIKeyHLEZVDDLRZUNPX-BFPMRWPESA-N
MW435.59 g/mol
LogP4.07
Rot. Bonds2

About [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone

[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone (PubChem CID 170512887) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone.

Molecular Properties

Compound Name[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone
PubChem CID170512887
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)n1
InChIInChI=1S/C25H29N3O2S/c26-20-3-1-2-17(27-20)19-13-16-18(31-19)6-11-30-25(16)7-9-28(10-8-25)24(29)23-21-14-4-5-15(12-14)22(21)23/h1-3,13-15,21-23H,4-12H2,(H2,26,27)/t14-,15+,21+,22-,23?
InChIKeyHLEZVDDLRZUNPX-BFPMRWPESA-N
XLogP4.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone with MolForge

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Related Compounds

(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
CID 170504355
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
CID 170511659
[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
(5S)-5-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170506576
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
CID 170512156
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 170505239
3-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 170513315
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 170507893
4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 170507945
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone;hydrochloride
CID 171710143
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 170508219
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

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone?
The IUPAC name of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone (CID 170512887) is [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone.
What is the SMILES notation for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone?
The canonical SMILES for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone is Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)n1.
What is the InChIKey of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone?
The InChIKey is HLEZVDDLRZUNPX-BFPMRWPESA-N. The full InChI is InChI=1S/C25H29N3O2S/c26-20-3-1-2-17(27-20)19-13-16-18(31-19)6-11-30-25(16)7-9-28(10-8-25)24(29)23-21-14-4-5-15(12-14)22(21)23/h1-3,13-15,21-23H,4-12H2,(H2,26,27)/t14-,15+,21+,22-,23?.
What are the key properties of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone?
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone has a molecular weight of 435.59 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone is sourced from PubChem (CID 170512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).