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

C18H23N3O2S — CID 135102517

IUPAC(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCCCc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)n[nH]1
InChIInChI=1S/C18H23N3O2S/c1-2-3-14-12-15(20-19-14)17(22)21-8-6-18(7-9-21)16-13(4-10-23-18)5-11-24-16/h5,11-12H,2-4,6-10H2,1H3,(H,19,20)
InChIKeyQLVSZOFRACLWJQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds3

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

(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 135102517) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID135102517
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCCCc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)n[nH]1
InChIInChI=1S/C18H23N3O2S/c1-2-3-14-12-15(20-19-14)17(22)21-8-6-18(7-9-21)16-13(4-10-23-18)5-11-24-16/h5,11-12H,2-4,6-10H2,1H3,(H,19,20)
InChIKeyQLVSZOFRACLWJQ-UHFFFAOYSA-N
XLogP3.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
6-ethyl-1,5-dimethyl-3-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 163304951
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 56745703
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135094594
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163317492
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163305731
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 135102517) is (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is CCCc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)n[nH]1.
What is the InChIKey of (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is QLVSZOFRACLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-3-14-12-15(20-19-14)17(22)21-8-6-18(7-9-21)16-13(4-10-23-18)5-11-24-16/h5,11-12H,2-4,6-10H2,1H3,(H,19,20).
What are the key properties of (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 345.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 135102517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).