2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone

C20H23N5OS — CID 176694821

IUPAC2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCSNCC(=O)N1CCCC(c2cccc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C20H23N5OS/c1-27-22-13-20(26)24-10-5-6-15(14-24)17-7-4-8-18(23-17)16-12-21-25-11-3-2-9-19(16)25/h2-4,7-9,11-12,15,22H,5-6,10,13-14H2,1H3
InChIKeyKRGLKRONZMVQEZ-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.97
Rot. Bonds5

About 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone

2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 176694821) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID176694821
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCSNCC(=O)N1CCCC(c2cccc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C20H23N5OS/c1-27-22-13-20(26)24-10-5-6-15(14-24)17-7-4-8-18(23-17)16-12-21-25-11-3-2-9-19(16)25/h2-4,7-9,11-12,15,22H,5-6,10,13-14H2,1H3
InChIKeyKRGLKRONZMVQEZ-UHFFFAOYSA-N
XLogP2.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine
CID 175682012
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
N-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)cyclopropanecarboxamide
CID 67373199
3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide
CID 176694780
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 67123742
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-pyridinyl]benzoic acid
CID 124967509
tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 67123984
N-(1-ethyl-2-oxopiperidin-3-yl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 143938728
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone (CID 176694821) is 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone is CSNCC(=O)N1CCCC(c2cccc(-c3cnn4ccccc34)n2)C1.
What is the InChIKey of 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is KRGLKRONZMVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-27-22-13-20(26)24-10-5-6-15(14-24)17-7-4-8-18(23-17)16-12-21-25-11-3-2-9-19(16)25/h2-4,7-9,11-12,15,22H,5-6,10,13-14H2,1H3.
What are the key properties of 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone?
2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 381.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylamino)-1-[3-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 176694821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).