2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C19H17N3O3S — CID 42197666

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17N3O3S/c23-19(18-17-15(11-26-18)24-8-9-25-17)22-7-6-14-13(10-22)16(21-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,20,21)
InChIKeyDULSGOWZIMPFGA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.11
Rot. Bonds2

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 42197666) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID42197666
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17N3O3S/c23-19(18-17-15(11-26-18)24-8-9-25-17)22-7-6-14-13(10-22)16(21-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,20,21)
InChIKeyDULSGOWZIMPFGA-UHFFFAOYSA-N
XLogP3.11
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone
CID 42513893
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
(3-morpholin-4-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 31074876
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 42510874
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26144665
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
(2-amino-1,3-thiazol-4-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154564074

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 42197666) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is O=C(c1scc2c1OCCO2)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is DULSGOWZIMPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-19(18-17-15(11-26-18)24-8-9-25-17)22-7-6-14-13(10-22)16(21-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,20,21).
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 367.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 42197666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).