N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C26H24ClF4N9O2 — CID 139488172

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CNCC(O)C(F)(F)F)c3n2)nn1
InChIInChI=1S/C26H24ClF4N9O2/c27-18-3-4-38-13-34-19(23(38)22(18)28)7-33-25(42)20-12-40(37-36-20)11-17-10-39-9-16(14-1-2-14)5-15(24(39)35-17)6-32-8-21(41)26(29,30)31/h3-5,9-10,12-14,21,32,41H,1-2,6-8,11H2,(H,33,42)
InChIKeyCXKXYHXYEORTFI-UHFFFAOYSA-N
MW605.98 g/mol
LogP3.23
Rot. Bonds10

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139488172) has the molecular formula C26H24ClF4N9O2 and a molecular weight of 605.98 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139488172
Molecular FormulaC26H24ClF4N9O2
Molecular Weight605.98 g/mol
Exact Mass605.17
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CNCC(O)C(F)(F)F)c3n2)nn1
InChIInChI=1S/C26H24ClF4N9O2/c27-18-3-4-38-13-34-19(23(38)22(18)28)7-33-25(42)20-12-40(37-36-20)11-17-10-39-9-16(14-1-2-14)5-15(24(39)35-17)6-32-8-21(41)26(29,30)31/h3-5,9-10,12-14,21,32,41H,1-2,6-8,11H2,(H,33,42)
InChIKeyCXKXYHXYEORTFI-UHFFFAOYSA-N
XLogP3.23
TPSA126.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.98
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139488172) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-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-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CNCC(O)C(F)(F)F)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is CXKXYHXYEORTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF4N9O2/c27-18-3-4-38-13-34-19(23(38)22(18)28)7-33-25(42)20-12-40(37-36-20)11-17-10-39-9-16(14-1-2-14)5-15(24(39)35-17)6-32-8-21(41)26(29,30)31/h3-5,9-10,12-14,21,32,41H,1-2,6-8,11H2,(H,33,42).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 605.98 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).