ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate

C28H26BrFN6O3 — CID 160695565

IUPACethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C28H26BrFN6O3/c1-2-39-25(38)10-18-9-19(17-3-4-17)12-35-14-21(33-28(18)35)15-36-13-20(11-32-36)24(37)6-5-23-27-26(30)22(29)7-8-34(27)16-31-23/h7-9,11-14,16-17H,2-6,10,15H2,1H3
InChIKeyCAMSMCGQOSXPDX-UHFFFAOYSA-N
MW593.46 g/mol
LogP4.93
Rot. Bonds10

About ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate

ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (PubChem CID 160695565) has the molecular formula C28H26BrFN6O3 and a molecular weight of 593.46 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
PubChem CID160695565
Molecular FormulaC28H26BrFN6O3
Molecular Weight593.46 g/mol
Exact Mass592.12
IUPAC Nameethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C28H26BrFN6O3/c1-2-39-25(38)10-18-9-19(17-3-4-17)12-35-14-21(33-28(18)35)15-36-13-20(11-32-36)24(37)6-5-23-27-26(30)22(29)7-8-34(27)16-31-23/h7-9,11-14,16-17H,2-6,10,15H2,1H3
InChIKeyCAMSMCGQOSXPDX-UHFFFAOYSA-N
XLogP4.93
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (CID 160695565) is ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is CCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Br)c(F)c45)cn3)nc12.
What is the InChIKey of ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The InChIKey is CAMSMCGQOSXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrFN6O3/c1-2-39-25(38)10-18-9-19(17-3-4-17)12-35-14-21(33-28(18)35)15-36-13-20(11-32-36)24(37)6-5-23-27-26(30)22(29)7-8-34(27)16-31-23/h7-9,11-14,16-17H,2-6,10,15H2,1H3.
What are the key properties of ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate has a molecular weight of 593.46 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is sourced from PubChem (CID 160695565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).