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

C28H32FN5O5 — CID 137366090

IUPAC4-[2-[5-fluoro-2-[3-[1-[(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(C(C)NC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C28H32FN5O5/c1-16(31-27(37)39-28(3,4)5)22-14-30-24-10-7-18(15-34(22)24)21-9-8-19(29)13-23(21)38-12-11-20-17(2)33(6)32-25(20)26(35)36/h7-10,13-16H,11-12H2,1-6H3,(H,31,37)(H,35,36)
InChIKeySHQCGOZIPZUUCJ-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.09
Rot. Bonds8

About 4-[2-[5-fluoro-2-[3-[1-[(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-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137366090) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-[1-[(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-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID137366090
Molecular FormulaC28H32FN5O5
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC Name4-[2-[5-fluoro-2-[3-[1-[(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(C(C)NC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C
InChIInChI=1S/C28H32FN5O5/c1-16(31-27(37)39-28(3,4)5)22-14-30-24-10-7-18(15-34(22)24)21-9-8-19(29)13-23(21)38-12-11-20-17(2)33(6)32-25(20)26(35)36/h7-10,13-16H,11-12H2,1-6H3,(H,31,37)(H,35,36)
InChIKeySHQCGOZIPZUUCJ-UHFFFAOYSA-N
XLogP5.09
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[5-fluoro-2-[3-[1-[(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-[1-[(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-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137366090) is 4-[2-[5-fluoro-2-[3-[1-[(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-[1-[(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-[1-[(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(C(C)NC(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C.
What is the InChIKey of 4-[2-[5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is SHQCGOZIPZUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-16(31-27(37)39-28(3,4)5)22-14-30-24-10-7-18(15-34(22)24)21-9-8-19(29)13-23(21)38-12-11-20-17(2)33(6)32-25(20)26(35)36/h7-10,13-16H,11-12H2,1-6H3,(H,31,37)(H,35,36).
What are the key properties of 4-[2-[5-fluoro-2-[3-[1-[(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-[1-[(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 5.09, 8 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-[1-[(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 137366090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).