[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

C23H14F4N6O3 — CID 169163312

IUPAC[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1oc(-c2ccccn2)nc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C23H14F4N6O3/c24-11-4-3-6-13-17(11)35-21(31-13)16-15-12(29-10-30-15)7-9-33(16)22(34)18-19(23(25,26)27)32-20(36-18)14-5-1-2-8-28-14/h1-6,8,10,16H,7,9H2,(H,29,30)/t16-/m0/s1
InChIKeyPJVHLPDVLKLUNS-INIZCTEOSA-N
MW498.40 g/mol
LogP4.55
Rot. Bonds3

About [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 169163312) has the molecular formula C23H14F4N6O3 and a molecular weight of 498.40 g/mol. Its IUPAC name is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID169163312
Molecular FormulaC23H14F4N6O3
Molecular Weight498.40 g/mol
Exact Mass498.11
IUPAC Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1oc(-c2ccccn2)nc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C23H14F4N6O3/c24-11-4-3-6-13-17(11)35-21(31-13)16-15-12(29-10-30-15)7-9-33(16)22(34)18-19(23(25,26)27)32-20(36-18)14-5-1-2-8-28-14/h1-6,8,10,16H,7,9H2,(H,29,30)/t16-/m0/s1
InChIKeyPJVHLPDVLKLUNS-INIZCTEOSA-N
XLogP4.55
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (CID 169163312) is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is O=C(c1oc(-c2ccccn2)nc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1.
What is the InChIKey of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is PJVHLPDVLKLUNS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H14F4N6O3/c24-11-4-3-6-13-17(11)35-21(31-13)16-15-12(29-10-30-15)7-9-33(16)22(34)18-19(23(25,26)27)32-20(36-18)14-5-1-2-8-28-14/h1-6,8,10,16H,7,9H2,(H,29,30)/t16-/m0/s1.
What are the key properties of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 498.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-pyridin-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 169163312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).