5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C19H21FN6OS — CID 174034328

IUPAC5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESC/N=C/C(=CN)N1CCc2nc(-c3ccc(N4CCC(F)C4)nc3)sc2C1=O
InChIInChI=1S/C19H21FN6OS/c1-22-10-14(8-21)26-7-5-15-17(19(26)27)28-18(24-15)12-2-3-16(23-9-12)25-6-4-13(20)11-25/h2-3,8-10,13H,4-7,11,21H2,1H3/b14-8?,22-10+
InChIKeyVNLYBCFKPWKMOB-JHDHBNBFSA-N
MW400.48 g/mol
LogP2.25
Rot. Bonds4

About 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 174034328) has the molecular formula C19H21FN6OS and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID174034328
Molecular FormulaC19H21FN6OS
Molecular Weight400.48 g/mol
Exact Mass400.15
IUPAC Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESC/N=C/C(=CN)N1CCc2nc(-c3ccc(N4CCC(F)C4)nc3)sc2C1=O
InChIInChI=1S/C19H21FN6OS/c1-22-10-14(8-21)26-7-5-15-17(19(26)27)28-18(24-15)12-2-3-16(23-9-12)25-6-4-13(20)11-25/h2-3,8-10,13H,4-7,11,21H2,1H3/b14-8?,22-10+
InChIKeyVNLYBCFKPWKMOB-JHDHBNBFSA-N
XLogP2.25
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
5-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(6-piperidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475107
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729
2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548651
[1-[4-[5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,4-dihydro-2H-azepin-7-yl]piperidin-3-yl] thiohypofluorite
CID 174034316
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
5-(3-fluoropropyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 167073577
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475252
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
CID 176706302
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489074

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 174034328) is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is C/N=C/C(=CN)N1CCc2nc(-c3ccc(N4CCC(F)C4)nc3)sc2C1=O.
What is the InChIKey of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is VNLYBCFKPWKMOB-JHDHBNBFSA-N. The full InChI is InChI=1S/C19H21FN6OS/c1-22-10-14(8-21)26-7-5-15-17(19(26)27)28-18(24-15)12-2-3-16(23-9-12)25-6-4-13(20)11-25/h2-3,8-10,13H,4-7,11,21H2,1H3/b14-8?,22-10+.
What are the key properties of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 400.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 174034328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).