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

C22H14F4N6O2 — CID 169162901

IUPAC[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1c(C(F)(F)F)nn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C22H14F4N6O2/c23-11-4-5-15-13(9-11)29-20(34-15)18-17-12(27-10-28-17)6-8-31(18)21(33)16-14-3-1-2-7-32(14)30-19(16)22(24,25)26/h1-5,7,9-10,18H,6,8H2,(H,27,28)/t18-/m0/s1
InChIKeyMIPJVRRQZIUCOM-SFHVURJKSA-N
MW470.39 g/mol
LogP4.14
Rot. Bonds2

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

[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169162901) has the molecular formula C22H14F4N6O2 and a molecular weight of 470.39 g/mol. Its IUPAC name is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169162901
Molecular FormulaC22H14F4N6O2
Molecular Weight470.39 g/mol
Exact Mass470.11
IUPAC Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1c(C(F)(F)F)nn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C22H14F4N6O2/c23-11-4-5-15-13(9-11)29-20(34-15)18-17-12(27-10-28-17)6-8-31(18)21(33)16-14-3-1-2-7-32(14)30-19(16)22(24,25)26/h1-5,7,9-10,18H,6,8H2,(H,27,28)/t18-/m0/s1
InChIKeyMIPJVRRQZIUCOM-SFHVURJKSA-N
XLogP4.14
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169162901) is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone is O=C(c1c(C(F)(F)F)nn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1.
What is the InChIKey of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is MIPJVRRQZIUCOM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H14F4N6O2/c23-11-4-5-15-13(9-11)29-20(34-15)18-17-12(27-10-28-17)6-8-31(18)21(33)16-14-3-1-2-7-32(14)30-19(16)22(24,25)26/h1-5,7,9-10,18H,6,8H2,(H,27,28)/t18-/m0/s1.
What are the key properties of [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 470.39 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169162901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).