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

C26H24FN7O3 — CID 169162922

IUPAC[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cnn2cc(N3CCC(O)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C26H24FN7O3/c27-18-2-1-3-20-24(18)37-25(31-20)23-22-19(28-14-29-22)8-11-33(23)26(36)17-12-30-34-13-15(4-5-21(17)34)32-9-6-16(35)7-10-32/h1-5,12-14,16,23,35H,6-11H2,(H,28,29)/t23-/m0/s1
InChIKeyOJLNQOSKXJQOKH-QHCPKHFHSA-N
MW501.52 g/mol
LogP3.09
Rot. Bonds3

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

[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169162922) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169162922
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cnn2cc(N3CCC(O)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C26H24FN7O3/c27-18-2-1-3-20-24(18)37-25(31-20)23-22-19(28-14-29-22)8-11-33(23)26(36)17-12-30-34-13-15(4-5-21(17)34)32-9-6-16(35)7-10-32/h1-5,12-14,16,23,35H,6-11H2,(H,28,29)/t23-/m0/s1
InChIKeyOJLNQOSKXJQOKH-QHCPKHFHSA-N
XLogP3.09
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169162922) is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is O=C(c1cnn2cc(N3CCC(O)CC3)ccc12)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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is OJLNQOSKXJQOKH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24FN7O3/c27-18-2-1-3-20-24(18)37-25(31-20)23-22-19(28-14-29-22)8-11-33(23)26(36)17-12-30-34-13-15(4-5-21(17)34)32-9-6-16(35)7-10-32/h1-5,12-14,16,23,35H,6-11H2,(H,28,29)/t23-/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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 501.52 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 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]-[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169162922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).