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

C22H15FN6O2S — CID 169163215

IUPAC[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)s1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C22H15FN6O2S/c23-12-4-5-16-15(9-12)28-20(31-16)19-18-13(26-11-27-18)6-8-29(19)22(30)17-10-25-21(32-17)14-3-1-2-7-24-14/h1-5,7,9-11,19H,6,8H2,(H,26,27)/t19-/m0/s1
InChIKeyOJEPUVDWIQLUKB-IBGZPJMESA-N
MW446.47 g/mol
LogP4.00
Rot. Bonds3

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

[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 169163215) has the molecular formula C22H15FN6O2S and a molecular weight of 446.47 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-pyridin-2-yl-1,3-thiazol-5-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-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID169163215
Molecular FormulaC22H15FN6O2S
Molecular Weight446.47 g/mol
Exact Mass446.10
IUPAC Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)s1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C22H15FN6O2S/c23-12-4-5-16-15(9-12)28-20(31-16)19-18-13(26-11-27-18)6-8-29(19)22(30)17-10-25-21(32-17)14-3-1-2-7-24-14/h1-5,7,9-11,19H,6,8H2,(H,26,27)/t19-/m0/s1
InChIKeyOJEPUVDWIQLUKB-IBGZPJMESA-N
XLogP4.00
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-pyridin-2-yl-1,3-thiazol-5-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-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 169163215) is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-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-pyridin-2-yl-1,3-thiazol-5-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-pyridin-2-yl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2ccccn2)s1)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-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is OJEPUVDWIQLUKB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H15FN6O2S/c23-12-4-5-16-15(9-12)28-20(31-16)19-18-13(26-11-27-18)6-8-29(19)22(30)17-10-25-21(32-17)14-3-1-2-7-24-14/h1-5,7,9-11,19H,6,8H2,(H,26,27)/t19-/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-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 446.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 169163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).