3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid

C26H24ClFN8O3 — CID 139488269

IUPAC3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid
SMILESCC(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O
InChIInChI=1S/C26H24ClFN8O3/c1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20/h4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39)
InChIKeySKNDRGROUPZYJA-UHFFFAOYSA-N
MW550.98 g/mol
LogP3.48
Rot. Bonds9

About 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid

3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid (PubChem CID 139488269) has the molecular formula C26H24ClFN8O3 and a molecular weight of 550.98 g/mol. Its IUPAC name is 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid
PubChem CID139488269
Molecular FormulaC26H24ClFN8O3
Molecular Weight550.98 g/mol
Exact Mass550.16
IUPAC Name3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid
SMILESCC(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O
InChIInChI=1S/C26H24ClFN8O3/c1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20/h4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39)
InChIKeySKNDRGROUPZYJA-UHFFFAOYSA-N
XLogP3.48
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.98
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid (CID 139488269) is 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid is CC(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O.
What is the InChIKey of 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid?
The InChIKey is SKNDRGROUPZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O3/c1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20/h4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39).
What are the key properties of 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid?
3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid has a molecular weight of 550.98 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid is sourced from PubChem (CID 139488269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).