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

C23H20FN7O2 — CID 169162846

IUPAC[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCNc1cn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)c2cc1C
InChIInChI=1S/C23H20FN7O2/c1-12-7-18-14(9-28-31(18)10-17(12)25-2)23(32)30-6-5-15-20(27-11-26-15)21(30)22-29-16-8-13(24)3-4-19(16)33-22/h3-4,7-11,21,25H,5-6H2,1-2H3,(H,26,27)/t21-/m0/s1
InChIKeyLIVIWMYTJGBFJJ-NRFANRHFSA-N
MW445.46 g/mol
LogP3.48
Rot. Bonds3

About [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169162846) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 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]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169162846
Molecular FormulaC23H20FN7O2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCNc1cn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)c2cc1C
InChIInChI=1S/C23H20FN7O2/c1-12-7-18-14(9-28-31(18)10-17(12)25-2)23(32)30-6-5-15-20(27-11-26-15)21(30)22-29-16-8-13(24)3-4-19(16)33-22/h3-4,7-11,21,25H,5-6H2,1-2H3,(H,26,27)/t21-/m0/s1
InChIKeyLIVIWMYTJGBFJJ-NRFANRHFSA-N
XLogP3.48
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-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]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169162846) is [(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone is CNc1cn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)c2cc1C.
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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is LIVIWMYTJGBFJJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-12-7-18-14(9-28-31(18)10-17(12)25-2)23(32)30-6-5-15-20(27-11-26-15)21(30)22-29-16-8-13(24)3-4-19(16)33-22/h3-4,7-11,21,25H,5-6H2,1-2H3,(H,26,27)/t21-/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]-[5-methyl-6-(methylamino)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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 445.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 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]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169162846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).