5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid

C26H20ClFN10O4 — CID 175117832

IUPAC5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnc(C(=O)O)o4)c3n2)nn1
InChIInChI=1S/C26H20ClFN10O4/c27-17-3-4-36-12-30-18(22(36)21(17)28)7-29-24(39)19-11-38(35-32-19)10-16-9-37-8-15(13-1-2-13)5-14(23(37)31-16)6-20-33-34-25(42-20)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41)
InChIKeyQNUZDFFADRLDNK-UHFFFAOYSA-N
MW590.96 g/mol
LogP2.89
Rot. Bonds9

About 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 175117832) has the molecular formula C26H20ClFN10O4 and a molecular weight of 590.96 g/mol. Its IUPAC name is 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID175117832
Molecular FormulaC26H20ClFN10O4
Molecular Weight590.96 g/mol
Exact Mass590.13
IUPAC Name5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnc(C(=O)O)o4)c3n2)nn1
InChIInChI=1S/C26H20ClFN10O4/c27-17-3-4-36-12-30-18(22(36)21(17)28)7-29-24(39)19-11-38(35-32-19)10-16-9-37-8-15(13-1-2-13)5-14(23(37)31-16)6-20-33-34-25(42-20)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41)
InChIKeyQNUZDFFADRLDNK-UHFFFAOYSA-N
XLogP2.89
TPSA170.63 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 175117832) is 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnc(C(=O)O)o4)c3n2)nn1.
What is the InChIKey of 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is QNUZDFFADRLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O4/c27-17-3-4-36-12-30-18(22(36)21(17)28)7-29-24(39)19-11-38(35-32-19)10-16-9-37-8-15(13-1-2-13)5-14(23(37)31-16)6-20-33-34-25(42-20)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41).
What are the key properties of 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 590.96 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[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]methyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 175117832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).