7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C25H24FN5OS — CID 123604114

IUPAC7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1=CNc2nccc(NC(C)c3nc4scc(C)n4c(=O)c3-c3cccc(F)c3)c2C1
InChIInChI=1S/C25H24FN5OS/c1-4-16-10-19-20(8-9-27-23(19)28-12-16)29-15(3)22-21(17-6-5-7-18(26)11-17)24(32)31-14(2)13-33-25(31)30-22/h5-9,11-13,15H,4,10H2,1-3H3,(H2,27,28,29)
InChIKeyJZVUZAQXVRFWRS-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.70
Rot. Bonds5

About 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 123604114) has the molecular formula C25H24FN5OS and a molecular weight of 461.57 g/mol. Its IUPAC name is 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID123604114
Molecular FormulaC25H24FN5OS
Molecular Weight461.57 g/mol
Exact Mass461.17
IUPAC Name7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1=CNc2nccc(NC(C)c3nc4scc(C)n4c(=O)c3-c3cccc(F)c3)c2C1
InChIInChI=1S/C25H24FN5OS/c1-4-16-10-19-20(8-9-27-23(19)28-12-16)29-15(3)22-21(17-6-5-7-18(26)11-17)24(32)31-14(2)13-33-25(31)30-22/h5-9,11-13,15H,4,10H2,1-3H3,(H2,27,28,29)
InChIKeyJZVUZAQXVRFWRS-UHFFFAOYSA-N
XLogP5.70
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

6-(3-fluorophenyl)-7-[(1S)-1-hydrazinylethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167431851
tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
CID 150361459
6-(3,5-difluorophenyl)-3-methyl-7-[(1S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 139538639
7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 122691061
6-(3-fluorophenyl)-7-[1-(7H-purin-6-ylamino)ethyl]-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66863154
6-(3-chlorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996436
6-(3-chloro-5-fluorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996437
7-(1-aminoethyl)-6-(3,4-difluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111403
7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111450
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
7-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;2,2,2-trifluoroacetic acid
CID 66855796
5,5-bis(4-fluorophenyl)-12-methyl-6-oxa-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8,11-trien-2-one
CID 167531282

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 123604114) is 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1=CNc2nccc(NC(C)c3nc4scc(C)n4c(=O)c3-c3cccc(F)c3)c2C1.
What is the InChIKey of 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JZVUZAQXVRFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS/c1-4-16-10-19-20(8-9-27-23(19)28-12-16)29-15(3)22-21(17-6-5-7-18(26)11-17)24(32)31-14(2)13-33-25(31)30-22/h5-9,11-13,15H,4,10H2,1-3H3,(H2,27,28,29).
What are the key properties of 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 461.57 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 123604114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).