(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

C20H20N4O2S — CID 163306291

IUPAC(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C20H20N4O2S/c25-19(17-13-16(22-23-17)14-1-7-21-8-2-14)24-9-5-20(6-10-24)15-4-12-27-18(15)3-11-26-20/h1-2,4,7-8,12-13H,3,5-6,9-11H2,(H,22,23)
InChIKeyGARLIFOERYCZJF-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.24
Rot. Bonds2

About (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone (PubChem CID 163306291) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
PubChem CID163306291
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C20H20N4O2S/c25-19(17-13-16(22-23-17)14-1-7-21-8-2-14)24-9-5-20(6-10-24)15-4-12-27-18(15)3-11-26-20/h1-2,4,7-8,12-13H,3,5-6,9-11H2,(H,22,23)
InChIKeyGARLIFOERYCZJF-UHFFFAOYSA-N
XLogP3.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 176501357
1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 135088266
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one
CID 135117302
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087781
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
(4-tert-butylphenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087727
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone (CID 163306291) is (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone?
The InChIKey is GARLIFOERYCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(17-13-16(22-23-17)14-1-7-21-8-2-14)24-9-5-20(6-10-24)15-4-12-27-18(15)3-11-26-20/h1-2,4,7-8,12-13H,3,5-6,9-11H2,(H,22,23).
What are the key properties of (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone?
(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone has a molecular weight of 380.47 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 163306291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).