[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol

C23H24FN5O3S — CID 171487885

IUPAC[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
SMILESO=[S@@]1CCc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc(NC3(CO)CCC3)c21
InChIInChI=1S/C23H24FN5O3S/c24-15-4-2-14(3-5-15)21-25-17-12-29(10-6-18(17)32-21)22-26-16-7-11-33(31)19(16)20(27-22)28-23(13-30)8-1-9-23/h2-5,30H,1,6-13H2,(H,26,27,28)/t33-/m1/s1
InChIKeyZRIWALPMODPZRM-MGBGTMOVSA-N
MW469.54 g/mol
LogP2.82
Rot. Bonds5

About [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol

[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol (PubChem CID 171487885) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
PubChem CID171487885
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
SMILESO=[S@@]1CCc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc(NC3(CO)CCC3)c21
InChIInChI=1S/C23H24FN5O3S/c24-15-4-2-14(3-5-15)21-25-17-12-29(10-6-18(17)32-21)22-26-16-7-11-33(31)19(16)20(27-22)28-23(13-30)8-1-9-23/h2-5,30H,1,6-13H2,(H,26,27,28)/t33-/m1/s1
InChIKeyZRIWALPMODPZRM-MGBGTMOVSA-N
XLogP2.82
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
The IUPAC name of [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol (CID 171487885) is [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
The canonical SMILES for [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol is O=[S@@]1CCc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc(NC3(CO)CCC3)c21.
What is the InChIKey of [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
The InChIKey is ZRIWALPMODPZRM-MGBGTMOVSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c24-15-4-2-14(3-5-15)21-25-17-12-29(10-6-18(17)32-21)22-26-16-7-11-33(31)19(16)20(27-22)28-23(13-30)8-1-9-23/h2-5,30H,1,6-13H2,(H,26,27,28)/t33-/m1/s1.
What are the key properties of [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
[1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol has a molecular weight of 469.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5R)-2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol is sourced from PubChem (CID 171487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).