1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one

C24H29FN6O2S — CID 158665999

IUPAC1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one
SMILESCc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)CC(C)(C)C)C3)c2s1
InChIInChI=1S/C24H29FN6O2S/c1-13(16-7-17(25)10-26-9-16)27-23-29-19(20-21(30-23)28-14(2)34-20)22(33)31-11-15(12-31)6-18(32)8-24(3,4)5/h7,9-10,13,15H,6,8,11-12H2,1-5H3,(H,27,29,30)/t13-/m0/s1
InChIKeyIDIZLPXKMCZOSR-ZDUSSCGKSA-N
MW484.60 g/mol
LogP4.57
Rot. Bonds7

About 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one

1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one (PubChem CID 158665999) has the molecular formula C24H29FN6O2S and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one
PubChem CID158665999
Molecular FormulaC24H29FN6O2S
Molecular Weight484.60 g/mol
Exact Mass484.21
IUPAC Name1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one
SMILESCc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)CC(C)(C)C)C3)c2s1
InChIInChI=1S/C24H29FN6O2S/c1-13(16-7-17(25)10-26-9-16)27-23-29-19(20-21(30-23)28-14(2)34-20)22(33)31-11-15(12-31)6-18(32)8-24(3,4)5/h7,9-10,13,15H,6,8,11-12H2,1-5H3,(H,27,29,30)/t13-/m0/s1
InChIKeyIDIZLPXKMCZOSR-ZDUSSCGKSA-N
XLogP4.57
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one with MolForge

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Related Compounds

4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 90683896
2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90683917
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130298672
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341811
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[5-(5-fluoropyridin-2-yl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130341812
tert-butyl 3-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]azetidine-1-carboxylate
CID 137538726
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]-N-[(2-methylpropan-2-yl)oxy]azetidine-3-carboxamide
CID 137538728
N-[[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]methyl]-N,2,2-trimethylpropanamide
CID 137538730
N-[[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 137538737
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]pyridine-4-carboxamide
CID 137538787
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]bicyclo[2.2.2]octane-1-carboxamide
CID 137538814
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-3,3-dimethylcyclobutane-1-carboxamide
CID 137538816

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one (CID 158665999) is 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one is Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)CC(C)(C)C)C3)c2s1.
What is the InChIKey of 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one?
The InChIKey is IDIZLPXKMCZOSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H29FN6O2S/c1-13(16-7-17(25)10-26-9-16)27-23-29-19(20-21(30-23)28-14(2)34-20)22(33)31-11-15(12-31)6-18(32)8-24(3,4)5/h7,9-10,13,15H,6,8,11-12H2,1-5H3,(H,27,29,30)/t13-/m0/s1.
What are the key properties of 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one?
1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one has a molecular weight of 484.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 158665999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).