ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate

C27H23F2N5O2 — CID 167534929

IUPACethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4C)ccn23)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C27H23F2N5O2/c1-4-36-27(35)13-20-9-18(10-24(32-20)21-6-5-19(28)12-23(21)29)25-15-30-26-11-17(7-8-34(25)26)22-14-31-33(3)16(22)2/h5-12,14-15H,4,13H2,1-3H3
InChIKeyALDCMWFWAWYYBZ-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.16
Rot. Bonds6

About ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate

ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate (PubChem CID 167534929) has the molecular formula C27H23F2N5O2 and a molecular weight of 487.51 g/mol. Its IUPAC name is ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
PubChem CID167534929
Molecular FormulaC27H23F2N5O2
Molecular Weight487.51 g/mol
Exact Mass487.18
IUPAC Nameethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4C)ccn23)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C27H23F2N5O2/c1-4-36-27(35)13-20-9-18(10-24(32-20)21-6-5-19(28)12-23(21)29)25-15-30-26-11-17(7-8-34(25)26)22-14-31-33(3)16(22)2/h5-12,14-15H,4,13H2,1-3H3
InChIKeyALDCMWFWAWYYBZ-UHFFFAOYSA-N
XLogP5.16
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate (CID 167534929) is ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate is CCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4C)ccn23)cc(-c2ccc(F)cc2F)n1.
What is the InChIKey of ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The InChIKey is ALDCMWFWAWYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O2/c1-4-36-27(35)13-20-9-18(10-24(32-20)21-6-5-19(28)12-23(21)29)25-15-30-26-11-17(7-8-34(25)26)22-14-31-33(3)16(22)2/h5-12,14-15H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate has a molecular weight of 487.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(2,4-difluorophenyl)-4-[7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate is sourced from PubChem (CID 167534929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).