2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide

C15H17N3OS — CID 124760369

IUPAC2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCn2nccc2C1
InChIInChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)15(19)17-11-7-9-18-12(10-11)6-8-16-18/h2-6,8,11H,7,9-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyLRUGXIBKULMIPI-LLVKDONJSA-N
MW287.39 g/mol
LogP2.35
Rot. Bonds3

About 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide

2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide (PubChem CID 124760369) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
PubChem CID124760369
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCn2nccc2C1
InChIInChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)15(19)17-11-7-9-18-12(10-11)6-8-16-18/h2-6,8,11H,7,9-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyLRUGXIBKULMIPI-LLVKDONJSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide with MolForge

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Related Compounds

2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
CID 124725421
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
[4-[[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]phenyl] acetate
CID 124759602
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]pyrazine-2-carboxamide
CID 124759114
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
2-cyclopropyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892890
2-pyrazol-1-yl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 129355323
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 121018766
N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 122158233

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide (CID 124760369) is 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide is CSc1ccccc1C(=O)N[C@@H]1CCn2nccc2C1.
What is the InChIKey of 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
The InChIKey is LRUGXIBKULMIPI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-14-5-3-2-4-13(14)15(19)17-11-7-9-18-12(10-11)6-8-16-18/h2-6,8,11H,7,9-10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide?
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide has a molecular weight of 287.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 124760369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).