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

C26H25FN8O2 — CID 169163385

IUPAC[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)CC1
InChIInChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-20-17(13-30-35(20)14-16)26(36)34-8-7-19-23(29-15-28-19)24(34)25-31-22-18(27)3-2-4-21(22)37-25/h2-6,13-15,24H,7-12H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyYOIUGMWWFSUNMI-DEOSSOPVSA-N
MW500.54 g/mol
LogP2.88
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-methylpiperazin-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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169163385) has the molecular formula C26H25FN8O2 and a molecular weight of 500.54 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-methylpiperazin-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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID169163385
Molecular FormulaC26H25FN8O2
Molecular Weight500.54 g/mol
Exact Mass500.21
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)CC1
InChIInChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-20-17(13-30-35(20)14-16)26(36)34-8-7-19-23(29-15-28-19)24(34)25-31-22-18(27)3-2-4-21(22)37-25/h2-6,13-15,24H,7-12H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyYOIUGMWWFSUNMI-DEOSSOPVSA-N
XLogP2.88
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169163385) is [(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is CN1CCN(c2ccc3c(C(=O)N4CCc5[nH]cnc5[C@H]4c4nc5c(F)cccc5o4)cnn3c2)CC1.
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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is YOIUGMWWFSUNMI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25FN8O2/c1-32-9-11-33(12-10-32)16-5-6-20-17(13-30-35(20)14-16)26(36)34-8-7-19-23(29-15-28-19)24(34)25-31-22-18(27)3-2-4-21(22)37-25/h2-6,13-15,24H,7-12H2,1H3,(H,28,29)/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-methylpiperazin-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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 500.54 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169163385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).