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

C27H25BrFN7O3 — CID 139487937

IUPACethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C27H25BrFN7O3/c1-2-39-23(37)8-17-7-18(16-3-4-16)11-35-13-20(33-26(17)35)14-36-12-19(9-32-36)27(38)30-10-22-25-24(29)21(28)5-6-34(25)15-31-22/h5-7,9,11-13,15-16H,2-4,8,10,14H2,1H3,(H,30,38)
InChIKeyQYHNIFGADDEADO-UHFFFAOYSA-N
MW594.45 g/mol
LogP4.04
Rot. Bonds9

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

ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (PubChem CID 139487937) has the molecular formula C27H25BrFN7O3 and a molecular weight of 594.45 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
PubChem CID139487937
Molecular FormulaC27H25BrFN7O3
Molecular Weight594.45 g/mol
Exact Mass593.12
IUPAC Nameethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C27H25BrFN7O3/c1-2-39-23(37)8-17-7-18(16-3-4-16)11-35-13-20(33-26(17)35)14-36-12-19(9-32-36)27(38)30-10-22-25-24(29)21(28)5-6-34(25)15-31-22/h5-7,9,11-13,15-16H,2-4,8,10,14H2,1H3,(H,30,38)
InChIKeyQYHNIFGADDEADO-UHFFFAOYSA-N
XLogP4.04
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]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-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate (CID 139487937) is ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is CCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12.
What is the InChIKey of ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
The InChIKey is QYHNIFGADDEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrFN7O3/c1-2-39-23(37)8-17-7-18(16-3-4-16)11-35-13-20(33-26(17)35)14-36-12-19(9-32-36)27(38)30-10-22-25-24(29)21(28)5-6-34(25)15-31-22/h5-7,9,11-13,15-16H,2-4,8,10,14H2,1H3,(H,30,38).
What are the key properties of ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate?
ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate has a molecular weight of 594.45 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate is sourced from PubChem (CID 139487937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).