methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate

C28H24ClFN10O2 — CID 139488157

IUPACmethyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate
SMILESC=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)OC)cn4)c3n2)nn1
InChIInChI=1S/C28H24ClFN10O2/c1-16(31-9-22-26-25(30)21(29)5-6-37(26)15-32-22)23-14-39(36-35-23)13-20-12-38-10-18(17-3-4-17)7-24(27(38)34-20)40-11-19(8-33-40)28(41)42-2/h5-8,10-12,14-15,17,31H,1,3-4,9,13H2,2H3
InChIKeyBJGATGDDZISJDH-UHFFFAOYSA-N
MW587.02 g/mol
LogP4.02
Rot. Bonds9

About methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate

methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate (PubChem CID 139488157) has the molecular formula C28H24ClFN10O2 and a molecular weight of 587.02 g/mol. Its IUPAC name is methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate
PubChem CID139488157
Molecular FormulaC28H24ClFN10O2
Molecular Weight587.02 g/mol
Exact Mass586.18
IUPAC Namemethyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate
SMILESC=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)OC)cn4)c3n2)nn1
InChIInChI=1S/C28H24ClFN10O2/c1-16(31-9-22-26-25(30)21(29)5-6-37(26)15-32-22)23-14-39(36-35-23)13-20-12-38-10-18(17-3-4-17)7-24(27(38)34-20)40-11-19(8-33-40)28(41)42-2/h5-8,10-12,14-15,17,31H,1,3-4,9,13H2,2H3
InChIKeyBJGATGDDZISJDH-UHFFFAOYSA-N
XLogP4.02
TPSA121.46 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.02
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate (CID 139488157) is methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate is C=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cc(C(=O)OC)cn4)c3n2)nn1.
What is the InChIKey of methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate?
The InChIKey is BJGATGDDZISJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN10O2/c1-16(31-9-22-26-25(30)21(29)5-6-37(26)15-32-22)23-14-39(36-35-23)13-20-12-38-10-18(17-3-4-17)7-24(27(38)34-20)40-11-19(8-33-40)28(41)42-2/h5-8,10-12,14-15,17,31H,1,3-4,9,13H2,2H3.
What are the key properties of methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate?
methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate has a molecular weight of 587.02 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 139488157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).