pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

C37H25F6N7O7 — CID 158882748

IUPACpyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.OCc1cncnc1
InChIInChI=1S/C18H11F3N4O3.C14H8F3NO3.C5H6N2O/c19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;8-3-5-1-6-4-7-2-5/h1-8,10H,9H2;1-6H,7H2;1-2,4,8H,3H2
InChIKeyJDFRCHKCQAJVEX-UHFFFAOYSA-N
MW793.64 g/mol
LogP6.47
Rot. Bonds7

About pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 158882748) has the molecular formula C37H25F6N7O7 and a molecular weight of 793.64 g/mol. Its IUPAC name is pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Namepyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
PubChem CID158882748
Molecular FormulaC37H25F6N7O7
Molecular Weight793.64 g/mol
Exact Mass793.17
IUPAC Namepyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.OCc1cncnc1
InChIInChI=1S/C18H11F3N4O3.C14H8F3NO3.C5H6N2O/c19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;8-3-5-1-6-4-7-2-5/h1-8,10H,9H2;1-6H,7H2;1-2,4,8H,3H2
InChIKeyJDFRCHKCQAJVEX-UHFFFAOYSA-N
XLogP6.47
TPSA177.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.64
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The IUPAC name of pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (CID 158882748) is pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.OCc1cncnc1.
What is the InChIKey of pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The InChIKey is JDFRCHKCQAJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O3.C14H8F3NO3.C5H6N2O/c19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;8-3-5-1-6-4-7-2-5/h1-8,10H,9H2;1-6H,7H2;1-2,4,8H,3H2.
What are the key properties of pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 793.64 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 158882748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).