2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile

C23H23FN6OS — CID 166475108

IUPAC2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1N
InChIInChI=1S/C23H23FN6OS/c24-16-2-1-8-29(13-16)20-6-3-14(12-27-20)22-28-19-7-9-30(23(31)21(19)32-22)17-4-5-18(26)15(10-17)11-25/h3-6,10,12,16,22,28H,1-2,7-9,13,26H2
InChIKeyFEWNTXYMQFVAIH-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile

2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (PubChem CID 166475108) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
PubChem CID166475108
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1N
InChIInChI=1S/C23H23FN6OS/c24-16-2-1-8-29(13-16)20-6-3-14(12-27-20)22-28-19-7-9-30(23(31)21(19)32-22)17-4-5-18(26)15(10-17)11-25/h3-6,10,12,16,22,28H,1-2,7-9,13,26H2
InChIKeyFEWNTXYMQFVAIH-UHFFFAOYSA-N
XLogP3.46
TPSA98.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile with MolForge

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Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-(5-methylpyridin-2-YL)acetamide
CID 16187882
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 26127247
2-[(1-Methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-(5-methylpyridin-2-YL)acetamide
CID 6622073
N-(2,5-dimethylphenyl)-N'-{[2-(1,4-thiazinan-4-yl)-4-pyridyl]methyl}urea
CID 50830254
2-((4-fluorobenzyl)thio)-6-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 135952667
(2-Methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 134408373
5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475103
2-[2-[6-(3-Fluoropyrrolidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 166475112
2-Amino-4-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 166475177
5-(3-Amino-4-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475193
5-(3-Amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475236

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The IUPAC name of 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (CID 166475108) is 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is N#Cc1cc(N2CCC3=C(SC(c4ccc(N5CCCC(F)C5)nc4)N3)C2=O)ccc1N.
What is the InChIKey of 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The InChIKey is FEWNTXYMQFVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6OS/c24-16-2-1-8-29(13-16)20-6-3-14(12-27-20)22-28-19-7-9-30(23(31)21(19)32-22)17-4-5-18(26)15(10-17)11-25/h3-6,10,12,16,22,28H,1-2,7-9,13,26H2.
What are the key properties of 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile has a molecular weight of 450.54 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 166475108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).