5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one

C24H27F2N5OS — CID 166475243

IUPAC5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1C2=C(SC1c1ccc(N3CCC(F)C3)nc1)C(=O)N(C1=C/C/C(N)=C(/F)C/C=C\1)CC2
InChIInChI=1S/C24H27F2N5OS/c1-29-20-10-12-31(17-3-2-4-18(26)19(27)7-6-17)23(32)22(20)33-24(29)15-5-8-21(28-13-15)30-11-9-16(25)14-30/h2-3,5-6,8,13,16,24H,4,7,9-12,14,27H2,1H3/b3-2-,17-6+,19-18-
InChIKeyATGLFMGKZLEGHL-ZCJSDYQKSA-N
MW471.58 g/mol
LogP4.12
Rot. Bonds3

About 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one

5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475243) has the molecular formula C24H27F2N5OS and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475243
Molecular FormulaC24H27F2N5OS
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1C2=C(SC1c1ccc(N3CCC(F)C3)nc1)C(=O)N(C1=C/C/C(N)=C(/F)C/C=C\1)CC2
InChIInChI=1S/C24H27F2N5OS/c1-29-20-10-12-31(17-3-2-4-18(26)19(27)7-6-17)23(32)22(20)33-24(29)15-5-8-21(28-13-15)30-11-9-16(25)14-30/h2-3,5-6,8,13,16,24H,4,7,9-12,14,27H2,1H3/b3-2-,17-6+,19-18-
InChIKeyATGLFMGKZLEGHL-ZCJSDYQKSA-N
XLogP4.12
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

6-[(4-methylpyridin-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 4915964
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
6-[(3-methylpyridin-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 4303839
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(5-methyl-2-pyridinyl)-
CID 486685
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(3-methyl-2-pyridinyl)-
CID 486683
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 44562941
7-Ethyl-2-[3-[(5-methyl-2-pyridinyl)amino]propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 45834029
3-(6-Methyl-2-pyridyl)-2-(3-pyridyl)thiazolidin-4-one
CID 49768030
7-ethyl-8-methyl-N-(3-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802377
N-(rel-(3R,4S)-1-{[6-(dimethylamino)-3-pyridinyl]methyl}-4-propyl-3-pyrrolidinyl)-2-(methylthio)acetamide dihydrochloride
CID 72883659
N-[(S)-1-[5-(trifluoromethyl)-2-pyridyl]-3-pyrrolidinyl](cyclopentylthio)acetamide
CID 99874819

Frequently Asked Questions

What is the IUPAC name of 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475243) is 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one is CN1C2=C(SC1c1ccc(N3CCC(F)C3)nc1)C(=O)N(C1=C/C/C(N)=C(/F)C/C=C\1)CC2.
What is the InChIKey of 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is ATGLFMGKZLEGHL-ZCJSDYQKSA-N. The full InChI is InChI=1S/C24H27F2N5OS/c1-29-20-10-12-31(17-3-2-4-18(26)19(27)7-6-17)23(32)22(20)33-24(29)15-5-8-21(28-13-15)30-11-9-16(25)14-30/h2-3,5-6,8,13,16,24H,4,7,9-12,14,27H2,1H3/b3-2-,17-6+,19-18-.
What are the key properties of 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 471.58 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).