(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C21H17N3OS2 — CID 55668318

IUPAC(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H17N3OS2/c25-21(17-8-12-24(22-17)15-5-2-1-3-6-15)23-11-9-18-16(10-14-27-18)20(23)19-7-4-13-26-19/h1-8,10,12-14,20H,9,11H2
InChIKeyYCMWRJQJMOYJEX-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.78
Rot. Bonds3

About (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 55668318) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID55668318
Molecular FormulaC21H17N3OS2
Molecular Weight391.52 g/mol
Exact Mass391.08
IUPAC Name(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H17N3OS2/c25-21(17-8-12-24(22-17)15-5-2-1-3-6-15)23-11-9-18-16(10-14-27-18)20(23)19-7-4-13-26-19/h1-8,10,12-14,20H,9,11H2
InChIKeyYCMWRJQJMOYJEX-UHFFFAOYSA-N
XLogP4.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55440089
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
(2-nitrophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576989
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576996
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9075582
(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
2,3-dihydro-1,4-dioxin-5-yl-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 124606633
[2-(difluoromethoxy)phenyl]-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43036207
N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide
CID 25335520

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 55668318) is (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1ccn(-c2ccccc2)n1)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is YCMWRJQJMOYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c25-21(17-8-12-24(22-17)15-5-2-1-3-6-15)23-11-9-18-16(10-14-27-18)20(23)19-7-4-13-26-19/h1-8,10,12-14,20H,9,11H2.
What are the key properties of (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 391.52 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 55668318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).