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

C20H15FN8O3 — CID 169162763

IUPAC[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4c(F)cccc4o3)o2)cn1
InChIInChI=1S/C20H15FN8O3/c1-28-8-10(7-24-28)17-26-27-19(32-17)20(30)29-6-5-12-15(23-9-22-12)16(29)18-25-14-11(21)3-2-4-13(14)31-18/h2-4,7-9,16H,5-6H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKKMGKCWSKBIYHT-INIZCTEOSA-N
MW434.39 g/mol
LogP2.26
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169162763) has the molecular formula C20H15FN8O3 and a molecular weight of 434.39 g/mol. Its IUPAC name is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID169162763
Molecular FormulaC20H15FN8O3
Molecular Weight434.39 g/mol
Exact Mass434.13
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4c(F)cccc4o3)o2)cn1
InChIInChI=1S/C20H15FN8O3/c1-28-8-10(7-24-28)17-26-27-19(32-17)20(30)29-6-5-12-15(23-9-22-12)16(29)18-25-14-11(21)3-2-4-13(14)31-18/h2-4,7-9,16H,5-6H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKKMGKCWSKBIYHT-INIZCTEOSA-N
XLogP2.26
TPSA131.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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CID 122674094

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 169162763) is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4c(F)cccc4o3)o2)cn1.
What is the InChIKey of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is KKMGKCWSKBIYHT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H15FN8O3/c1-28-8-10(7-24-28)17-26-27-19(32-17)20(30)29-6-5-12-15(23-9-22-12)16(29)18-25-14-11(21)3-2-4-13(14)31-18/h2-4,7-9,16H,5-6H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 434.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169162763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).