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

C24H25FN6S — CID 171489005

IUPAC2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
SMILESC=C1C2=C(CCN1c1cccc(N)c1C#N)NC(c1ccc(N3CCCCC3)nc1F)S2
InChIInChI=1S/C24H25FN6S/c1-15-22-19(10-13-31(15)20-7-5-6-18(27)17(20)14-26)28-24(32-22)16-8-9-21(29-23(16)25)30-11-3-2-4-12-30/h5-9,24,28H,1-4,10-13,27H2
InChIKeyPNJVNHCSHXHAFW-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.64
Rot. Bonds3

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

2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (PubChem CID 171489005) has the molecular formula C24H25FN6S and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
PubChem CID171489005
Molecular FormulaC24H25FN6S
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
SMILESC=C1C2=C(CCN1c1cccc(N)c1C#N)NC(c1ccc(N3CCCCC3)nc1F)S2
InChIInChI=1S/C24H25FN6S/c1-15-22-19(10-13-31(15)20-7-5-6-18(27)17(20)14-26)28-24(32-22)16-8-9-21(29-23(16)25)30-11-3-2-4-12-30/h5-9,24,28H,1-4,10-13,27H2
InChIKeyPNJVNHCSHXHAFW-UHFFFAOYSA-N
XLogP4.64
TPSA81.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(3-Fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]benzonitrile
CID 58123425
7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 69022022
N'-[(Z)-1-[(6-amino-3,5-dicyano-4-piperidin-1-yl-2-pyridinyl)sulfanyl]but-2-en-2-yl]-N-(4-fluorophenyl)ethanimidamide
CID 70915060
2-Amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 118312361
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
2-Amino-4-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-methyl-7-methylidene-2,4,5,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]benzonitrile
CID 166475174
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
2-amino-4-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 169560500
2-Amino-6-[2-[2-fluoro-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 171489015
2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 171489082
2-amino-6-[2-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-5-formyl-3-methyl-2H-1,3-thiazol-4-yl]ethyl-methylamino]benzonitrile
CID 171489114
2-amino-6-[2-[2-fluoro-6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
CID 171489131

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The IUPAC name of 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (CID 171489005) is 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The canonical SMILES for 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is C=C1C2=C(CCN1c1cccc(N)c1C#N)NC(c1ccc(N3CCCCC3)nc1F)S2.
What is the InChIKey of 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
The InChIKey is PNJVNHCSHXHAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6S/c1-15-22-19(10-13-31(15)20-7-5-6-18(27)17(20)14-26)28-24(32-22)16-8-9-21(29-23(16)25)30-11-3-2-4-12-30/h5-9,24,28H,1-4,10-13,27H2.
What are the key properties of 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?
2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile has a molecular weight of 448.57 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-4-methylidene-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 171489005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).