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

C24H28FN5O2S — CID 163480855

IUPAC1-[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
SMILESCc1csc2c(C(=O)N3CC(CC(=O)C(C)(C)C)C3)nc(N[C@@H](C)c3cncc(F)c3)nc12
InChIInChI=1S/C24H28FN5O2S/c1-13-12-33-21-19(13)28-23(27-14(2)16-7-17(25)9-26-8-16)29-20(21)22(32)30-10-15(11-30)6-18(31)24(3,4)5/h7-9,12,14-15H,6,10-11H2,1-5H3,(H,27,28,29)/t14-/m0/s1
InChIKeyCEJQJNJNYJDRNW-AWEZNQCLSA-N
MW469.59 g/mol
LogP4.78
Rot. Bonds6

About 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

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 (PubChem CID 163480855) has the molecular formula C24H28FN5O2S and a molecular weight of 469.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID163480855
Molecular FormulaC24H28FN5O2S
Molecular Weight469.59 g/mol
Exact Mass469.19
IUPAC Name1-[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
SMILESCc1csc2c(C(=O)N3CC(CC(=O)C(C)(C)C)C3)nc(N[C@@H](C)c3cncc(F)c3)nc12
InChIInChI=1S/C24H28FN5O2S/c1-13-12-33-21-19(13)28-23(27-14(2)16-7-17(25)9-26-8-16)29-20(21)22(32)30-10-15(11-30)6-18(31)24(3,4)5/h7-9,12,14-15H,6,10-11H2,1-5H3,(H,27,28,29)/t14-/m0/s1
InChIKeyCEJQJNJNYJDRNW-AWEZNQCLSA-N
XLogP4.78
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc2c(C(=O)N3CC(CC(=O)C(C)(C)C)C3)nc(N[C@@H](C)c3cncc(F)c3)nc12.
What is the InChIKey of 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?
The InChIKey is CEJQJNJNYJDRNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H28FN5O2S/c1-13-12-33-21-19(13)28-23(27-14(2)16-7-17(25)9-26-8-16)29-20(21)22(32)30-10-15(11-30)6-18(31)24(3,4)5/h7-9,12,14-15H,6,10-11H2,1-5H3,(H,27,28,29)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 469.59 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163480855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).