N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H20N4OS — CID 16608941

IUPACN-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N1CCc2sccc2C1
InChIInChI=1S/C19H20N4OS/c24-19(22-12-7-18-16(14-22)8-13-25-18)20-10-6-15-2-4-17(5-3-15)23-11-1-9-21-23/h1-5,8-9,11,13H,6-7,10,12,14H2,(H,20,24)
InChIKeyXDQHDPWMAPNBPX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 16608941) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID16608941
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)N1CCc2sccc2C1
InChIInChI=1S/C19H20N4OS/c24-19(22-12-7-18-16(14-22)8-13-25-18)20-10-6-15-2-4-17(5-3-15)23-11-1-9-21-23/h1-5,8-9,11,13H,6-7,10,12,14H2,(H,20,24)
InChIKeyXDQHDPWMAPNBPX-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 35484545
3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55911251
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885
N-[2-(1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144627
(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124592469
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55922083
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608922

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 16608941) is N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XDQHDPWMAPNBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(22-12-7-18-16(14-22)8-13-25-18)20-10-6-15-2-4-17(5-3-15)23-11-1-9-21-23/h1-5,8-9,11,13H,6-7,10,12,14H2,(H,20,24).
What are the key properties of N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 16608941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).