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

C26H23F2N7O2 — CID 169162775

IUPAC[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cnn2cc(N3CCC(F)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2o1
InChIInChI=1S/C26H23F2N7O2/c27-15-6-9-33(10-7-15)16-4-5-20-17(12-31-35(20)13-16)26(36)34-11-8-19-23(30-14-29-19)24(34)25-32-22-18(28)2-1-3-21(22)37-25/h1-5,12-15,24H,6-11H2,(H,29,30)/t24-/m0/s1
InChIKeyNRTKRJOSNSNWJK-DEOSSOPVSA-N
MW503.51 g/mol
LogP4.06
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169162775) has the molecular formula C26H23F2N7O2 and a molecular weight of 503.51 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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169162775
Molecular FormulaC26H23F2N7O2
Molecular Weight503.51 g/mol
Exact Mass503.19
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cnn2cc(N3CCC(F)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2o1
InChIInChI=1S/C26H23F2N7O2/c27-15-6-9-33(10-7-15)16-4-5-20-17(12-31-35(20)13-16)26(36)34-11-8-19-23(30-14-29-19)24(34)25-32-22-18(28)2-1-3-21(22)37-25/h1-5,12-15,24H,6-11H2,(H,29,30)/t24-/m0/s1
InChIKeyNRTKRJOSNSNWJK-DEOSSOPVSA-N
XLogP4.06
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-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-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169162775) is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is O=C(c1cnn2cc(N3CCC(F)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2o1.
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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is NRTKRJOSNSNWJK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23F2N7O2/c27-15-6-9-33(10-7-15)16-4-5-20-17(12-31-35(20)13-16)26(36)34-11-8-19-23(30-14-29-19)24(34)25-32-22-18(28)2-1-3-21(22)37-25/h1-5,12-15,24H,6-11H2,(H,29,30)/t24-/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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 503.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169162775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).