2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide

C14H21N3OS — CID 124892185

IUPAC2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C14H21N3OS/c18-14(10-19-13-3-1-2-4-13)16-11-6-8-17-12(9-11)5-7-15-17/h5,7,11,13H,1-4,6,8-10H2,(H,16,18)/t11-/m0/s1
InChIKeyNVKIDADUDJHEOD-NSHDSACASA-N
MW279.41 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide

2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide (PubChem CID 124892185) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
PubChem CID124892185
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C14H21N3OS/c18-14(10-19-13-3-1-2-4-13)16-11-6-8-17-12(9-11)5-7-15-17/h5,7,11,13H,1-4,6,8-10H2,(H,16,18)/t11-/m0/s1
InChIKeyNVKIDADUDJHEOD-NSHDSACASA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide with MolForge

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Related Compounds

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
2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 119101484
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
methyl 4-[[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]carbamoyl]benzoate
CID 124725421
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
CID 124759538
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 124760825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide (CID 124892185) is 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide is O=C(CSC1CCCC1)N[C@H]1CCn2nccc2C1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide?
The InChIKey is NVKIDADUDJHEOD-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3OS/c18-14(10-19-13-3-1-2-4-13)16-11-6-8-17-12(9-11)5-7-15-17/h5,7,11,13H,1-4,6,8-10H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide?
2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide has a molecular weight of 279.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide is sourced from PubChem (CID 124892185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).