N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide

C23H19ClFN7O — CID 139488295

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(C4CC4)cn3c2)nn1
InChIInChI=1S/C23H19ClFN7O/c24-18-5-6-30-13-27-19(22(30)21(18)25)8-26-23(33)20-12-32(29-28-20)10-14-7-17-4-3-16(15-1-2-15)11-31(17)9-14/h3-7,9,11-13,15H,1-2,8,10H2,(H,26,33)
InChIKeyMORSAJTYBNUHRL-UHFFFAOYSA-N
MW463.90 g/mol
LogP3.83
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139488295) has the molecular formula C23H19ClFN7O and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide
PubChem CID139488295
Molecular FormulaC23H19ClFN7O
Molecular Weight463.90 g/mol
Exact Mass463.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(C4CC4)cn3c2)nn1
InChIInChI=1S/C23H19ClFN7O/c24-18-5-6-30-13-27-19(22(30)21(18)25)8-26-23(33)20-12-32(29-28-20)10-14-7-17-4-3-16(15-1-2-15)11-31(17)9-14/h3-7,9,11-13,15H,1-2,8,10H2,(H,26,33)
InChIKeyMORSAJTYBNUHRL-UHFFFAOYSA-N
XLogP3.83
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide (CID 139488295) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ccc(C4CC4)cn3c2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is MORSAJTYBNUHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O/c24-18-5-6-30-13-27-19(22(30)21(18)25)8-26-23(33)20-12-32(29-28-20)10-14-7-17-4-3-16(15-1-2-15)11-31(17)9-14/h3-7,9,11-13,15H,1-2,8,10H2,(H,26,33).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).