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

C23H28FN7O2S — CID 146418511

IUPAC1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCN(C(=O)CC(C)(C)C)C3)c2s1
InChIInChI=1S/C23H28FN7O2S/c1-13(15-8-16(24)11-25-10-15)26-22-28-18(19-20(29-22)27-14(2)34-19)21(33)31-7-6-30(12-31)17(32)9-23(3,4)5/h8,10-11,13H,6-7,9,12H2,1-5H3,(H,26,28,29)/t13-/m0/s1
InChIKeyANWMMQUEUOKTNI-ZDUSSCGKSA-N
MW485.59 g/mol
LogP3.78
Rot. Bonds5

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

1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 146418511) has the molecular formula C23H28FN7O2S and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID146418511
Molecular FormulaC23H28FN7O2S
Molecular Weight485.59 g/mol
Exact Mass485.20
IUPAC Name1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCN(C(=O)CC(C)(C)C)C3)c2s1
InChIInChI=1S/C23H28FN7O2S/c1-13(15-8-16(24)11-25-10-15)26-22-28-18(19-20(29-22)27-14(2)34-19)21(33)31-7-6-30(12-31)17(32)9-23(3,4)5/h8,10-11,13H,6-7,9,12H2,1-5H3,(H,26,28,29)/t13-/m0/s1
InChIKeyANWMMQUEUOKTNI-ZDUSSCGKSA-N
XLogP3.78
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one (CID 146418511) is 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one is Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCN(C(=O)CC(C)(C)C)C3)c2s1.
What is the InChIKey of 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is ANWMMQUEUOKTNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H28FN7O2S/c1-13(15-8-16(24)11-25-10-15)26-22-28-18(19-20(29-22)27-14(2)34-19)21(33)31-7-6-30(12-31)17(32)9-23(3,4)5/h8,10-11,13H,6-7,9,12H2,1-5H3,(H,26,28,29)/t13-/m0/s1.
What are the key properties of 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 485.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 146418511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).