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

C21H27N3O2S — CID 163317492

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C21H27N3O2S/c25-20(17-14-22-23-18(17)15-4-2-1-3-5-15)24-10-8-21(9-11-24)19-16(6-12-26-21)7-13-27-19/h7,13-15H,1-6,8-12H2,(H,22,23)
InChIKeyPHPBFAAJMGFAGJ-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.22
Rot. Bonds2

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

(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 163317492) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID163317492
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C21H27N3O2S/c25-20(17-14-22-23-18(17)15-4-2-1-3-5-15)24-10-8-21(9-11-24)19-16(6-12-26-21)7-13-27-19/h7,13-15H,1-6,8-12H2,(H,22,23)
InChIKeyPHPBFAAJMGFAGJ-UHFFFAOYSA-N
XLogP4.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144176
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918492
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806087
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
CID 135117997
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
1-[2-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)phenyl]-1,3-diazinane-2,4-dione
CID 163314677
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 163317492) is (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is PHPBFAAJMGFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-20(17-14-22-23-18(17)15-4-2-1-3-5-15)24-10-8-21(9-11-24)19-16(6-12-26-21)7-13-27-19/h7,13-15H,1-6,8-12H2,(H,22,23).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 385.53 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 163317492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).