5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C16H21N3OS — CID 99946534

IUPAC5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1cc([C@H]2CCCCO2)sc1CN1CCc2[nH]ncc2C1
InChIInChI=1S/C16H21N3OS/c1-2-8-20-15(3-1)16-5-4-13(21-16)11-19-7-6-14-12(10-19)9-17-18-14/h4-5,9,15H,1-3,6-8,10-11H2,(H,17,18)/t15-/m1/s1
InChIKeyWXFWWGGPOGDIAB-OAHLLOKOSA-N
MW303.43 g/mol
LogP3.27
Rot. Bonds3

About 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 99946534) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID99946534
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1cc([C@H]2CCCCO2)sc1CN1CCc2[nH]ncc2C1
InChIInChI=1S/C16H21N3OS/c1-2-8-20-15(3-1)16-5-4-13(21-16)11-19-7-6-14-12(10-19)9-17-18-14/h4-5,9,15H,1-3,6-8,10-11H2,(H,17,18)/t15-/m1/s1
InChIKeyWXFWWGGPOGDIAB-OAHLLOKOSA-N
XLogP3.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine
CID 95403050
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]ethanamine
CID 99928513
2-fluoro-1'-[(3-methyl-1H-pyrazol-4-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268548
2-chloro-4,4-difluoro-1'-[(3-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268588
2,4,4-trifluoro-1'-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268626
4,4-difluoro-1'-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67169193
azane;2-chloro-4,4-difluoro-1'-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 87294369
2,4-difluoro-1'-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 89804054
4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 123491364
(4R)-2-fluoro-4-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 123549045
4,4-difluoro-5-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 123634244
2-chloro-4,4-difluoro-5-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 123640747

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 99946534) is 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1cc([C@H]2CCCCO2)sc1CN1CCc2[nH]ncc2C1.
What is the InChIKey of 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is WXFWWGGPOGDIAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-8-20-15(3-1)16-5-4-13(21-16)11-19-7-6-14-12(10-19)9-17-18-14/h4-5,9,15H,1-3,6-8,10-11H2,(H,17,18)/t15-/m1/s1.
What are the key properties of 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 303.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 99946534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).