4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

C28H32FN5O5 — CID 137366092

IUPAC4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C28H32FN5O5/c1-17-21(25(26(35)36)32-33(17)5)11-13-38-23-14-19(29)7-8-22(23)18-6-9-24-31-15-20(34(24)16-18)10-12-30-27(37)39-28(2,3)4/h6-9,14-16H,10-13H2,1-5H3,(H,30,37)(H,35,36)
InChIKeyQSNOJTLAWDELKK-UHFFFAOYSA-N
MW537.59 g/mol
LogP4.57
Rot. Bonds9

About 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137366092) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID137366092
Molecular FormulaC28H32FN5O5
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC Name4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C28H32FN5O5/c1-17-21(25(26(35)36)32-33(17)5)11-13-38-23-14-19(29)7-8-22(23)18-6-9-24-31-15-20(34(24)16-18)10-12-30-27(37)39-28(2,3)4/h6-9,14-16H,10-13H2,1-5H3,(H,30,37)(H,35,36)
InChIKeyQSNOJTLAWDELKK-UHFFFAOYSA-N
XLogP4.57
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137366092) is 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C.
What is the InChIKey of 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is QSNOJTLAWDELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-17-21(25(26(35)36)32-33(17)5)11-13-38-23-14-19(29)7-8-22(23)18-6-9-24-31-15-20(34(24)16-18)10-12-30-27(37)39-28(2,3)4/h6-9,14-16H,10-13H2,1-5H3,(H,30,37)(H,35,36).
What are the key properties of 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 537.59 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 137366092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).