2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone

C23H20FN5O3S — CID 163917354

IUPAC2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone
SMILESC[C@H](Nc1nc(C(=O)N2CC(CC(=O)c3ccoc3)C2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C23H20FN5O3S/c1-13(16-7-17(24)9-25-8-16)26-23-27-18-3-5-33-21(18)20(28-23)22(31)29-10-14(11-29)6-19(30)15-2-4-32-12-15/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,26,27,28)/t13-/m0/s1
InChIKeyQXKHUEMMJIGSJO-ZDUSSCGKSA-N
MW465.51 g/mol
LogP4.34
Rot. Bonds7

About 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone

2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone (PubChem CID 163917354) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone
PubChem CID163917354
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone
SMILESC[C@H](Nc1nc(C(=O)N2CC(CC(=O)c3ccoc3)C2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C23H20FN5O3S/c1-13(16-7-17(24)9-25-8-16)26-23-27-18-3-5-33-21(18)20(28-23)22(31)29-10-14(11-29)6-19(30)15-2-4-32-12-15/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,26,27,28)/t13-/m0/s1
InChIKeyQXKHUEMMJIGSJO-ZDUSSCGKSA-N
XLogP4.34
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone with MolForge

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Related Compounds

2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
CID 44528595
3-methoxy-N-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]benzamide
CID 89596374
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596646
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
2-[(5-fluoro-3-pyridinyl)methylamino]-N-[(6-methoxy-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538576
2-[(3-fluorophenyl)methylamino]-N-[(6-methoxy-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538604
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-3-methoxybenzamide
CID 137538813
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539194
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[3-(4-methoxyphenyl)propyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539301
N-[1-[2-[[(1S)-1-(5-fluoropyridin-3-yl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-5-(trifluoromethyl)furan-2-carboxamide
CID 137539397
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539504

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone?
The IUPAC name of 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone (CID 163917354) is 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone is C[C@H](Nc1nc(C(=O)N2CC(CC(=O)c3ccoc3)C2)c2sccc2n1)c1cncc(F)c1.
What is the InChIKey of 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone?
The InChIKey is QXKHUEMMJIGSJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-13(16-7-17(24)9-25-8-16)26-23-27-18-3-5-33-21(18)20(28-23)22(31)29-10-14(11-29)6-19(30)15-2-4-32-12-15/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,26,27,28)/t13-/m0/s1.
What are the key properties of 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone?
2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone has a molecular weight of 465.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-1-(furan-3-yl)ethanone is sourced from PubChem (CID 163917354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).