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

C24H26FN5O2S — CID 176883151

IUPAC4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc3c2SCC3)CC1
InChIInChI=1S/C24H26FN5O2S/c25-15-3-1-14(2-4-15)23-27-19-13-30(11-9-20(19)32-23)24-28-18-10-12-33-21(18)22(29-24)26-16-5-7-17(31)8-6-16/h1-4,16-17,31H,5-13H2,(H,26,28,29)
InChIKeyFZNURLKHFBNIGN-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.20
Rot. Bonds4

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

4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 176883151) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID176883151
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc3c2SCC3)CC1
InChIInChI=1S/C24H26FN5O2S/c25-15-3-1-14(2-4-15)23-27-19-13-30(11-9-20(19)32-23)24-28-18-10-12-33-21(18)22(29-24)26-16-5-7-17(31)8-6-16/h1-4,16-17,31H,5-13H2,(H,26,28,29)
InChIKeyFZNURLKHFBNIGN-UHFFFAOYSA-N
XLogP4.20
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 176883151) is 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(N3CCc4oc(-c5ccc(F)cc5)nc4C3)nc3c2SCC3)CC1.
What is the InChIKey of 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is FZNURLKHFBNIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c25-15-3-1-14(2-4-15)23-27-19-13-30(11-9-20(19)32-23)24-28-18-10-12-33-21(18)22(29-24)26-16-5-7-17(31)8-6-16/h1-4,16-17,31H,5-13H2,(H,26,28,29).
What are the key properties of 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 467.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 176883151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).