propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate

C23H26FN5O3S — CID 163727671

IUPACpropan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
SMILESCc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)OC(C)C)C3)c2s1
InChIInChI=1S/C23H26FN5O3S/c1-12(2)32-19(30)6-15-10-29(11-15)22(31)20-21-18(5-13(3)33-21)27-23(28-20)26-14(4)16-7-17(24)9-25-8-16/h5,7-9,12,14-15H,6,10-11H2,1-4H3,(H,26,27,28)/t14-/m0/s1
InChIKeyKWZDBQVCXFFQBP-AWEZNQCLSA-N
MW471.56 g/mol
LogP4.12
Rot. Bonds7

About propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate

propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate (PubChem CID 163727671) has the molecular formula C23H26FN5O3S and a molecular weight of 471.56 g/mol. Its IUPAC name is propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
PubChem CID163727671
Molecular FormulaC23H26FN5O3S
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Namepropan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
SMILESCc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)OC(C)C)C3)c2s1
InChIInChI=1S/C23H26FN5O3S/c1-12(2)32-19(30)6-15-10-29(11-15)22(31)20-21-18(5-13(3)33-21)27-23(28-20)26-14(4)16-7-17(24)9-25-8-16/h5,7-9,12,14-15H,6,10-11H2,1-4H3,(H,26,27,28)/t14-/m0/s1
InChIKeyKWZDBQVCXFFQBP-AWEZNQCLSA-N
XLogP4.12
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate with MolForge

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Related Compounds

ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 142540099
tert-butyl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
CID 163439421
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 150817428
ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540108
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 142540176
1-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-7-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one
CID 163480855
(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 146418462
(3-aminoazetidin-1-yl)-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540525
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-4-piperidin-4-ylbutan-1-one
CID 163430721
[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 146427464
1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidine-3-carboxamide
CID 146418377
5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carboxylic acid;bis([5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone);3-(methoxymethyl)azetidine
CID 158198362

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate (CID 163727671) is propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate is Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)OC(C)C)C3)c2s1.
What is the InChIKey of propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate?
The InChIKey is KWZDBQVCXFFQBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26FN5O3S/c1-12(2)32-19(30)6-15-10-29(11-15)22(31)20-21-18(5-13(3)33-21)27-23(28-20)26-14(4)16-7-17(24)9-25-8-16/h5,7-9,12,14-15H,6,10-11H2,1-4H3,(H,26,27,28)/t14-/m0/s1.
What are the key properties of propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate?
propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate has a molecular weight of 471.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate is sourced from PubChem (CID 163727671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).