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

C21H26N4O2S — CID 170504355

IUPAC(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3(N)CCC3)CC2)n1
InChIInChI=1S/C21H26N4O2S/c22-18-4-1-3-15(24-18)17-13-14-16(28-17)5-12-27-21(14)8-10-25(11-9-21)19(26)20(23)6-2-7-20/h1,3-4,13H,2,5-12,23H2,(H2,22,24)
InChIKeyXQIXDUIRSLEGPT-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.66
Rot. Bonds2

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

(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone (PubChem CID 170504355) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
PubChem CID170504355
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3(N)CCC3)CC2)n1
InChIInChI=1S/C21H26N4O2S/c22-18-4-1-3-15(24-18)17-13-14-16(28-17)5-12-27-21(14)8-10-25(11-9-21)19(26)20(23)6-2-7-20/h1,3-4,13H,2,5-12,23H2,(H2,22,24)
InChIKeyXQIXDUIRSLEGPT-UHFFFAOYSA-N
XLogP2.66
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
(1-aminocyclopropyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170512831
(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
[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
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
[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
[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
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
(1-hydroxycyclopentyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170509649
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
[3-(hydroxymethyl)azetidin-3-yl]-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170508387

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone (CID 170504355) is (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone is Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3(N)CCC3)CC2)n1.
What is the InChIKey of (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is XQIXDUIRSLEGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c22-18-4-1-3-15(24-18)17-13-14-16(28-17)5-12-27-21(14)8-10-25(11-9-21)19(26)20(23)6-2-7-20/h1,3-4,13H,2,5-12,23H2,(H2,22,24).
What are the key properties of (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone?
(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 398.53 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 170504355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).