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

C18H13ClFN9O — CID 139487736

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2nc3ccccn3n2)nn1
InChIInChI=1S/C18H13ClFN9O/c19-11-4-6-27-10-22-12(17(27)16(11)20)7-21-18(30)13-8-28(26-24-13)9-14-23-15-3-1-2-5-29(15)25-14/h1-6,8,10H,7,9H2,(H,21,30)
InChIKeyPHYWGECHSHCECS-UHFFFAOYSA-N
MW425.82 g/mol
LogP1.74
Rot. Bonds5

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 139487736) has the molecular formula C18H13ClFN9O and a molecular weight of 425.82 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID139487736
Molecular FormulaC18H13ClFN9O
Molecular Weight425.82 g/mol
Exact Mass425.09
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2nc3ccccn3n2)nn1
InChIInChI=1S/C18H13ClFN9O/c19-11-4-6-27-10-22-12(17(27)16(11)20)7-21-18(30)13-8-28(26-24-13)9-14-23-15-3-1-2-5-29(15)25-14/h1-6,8,10H,7,9H2,(H,21,30)
InChIKeyPHYWGECHSHCECS-UHFFFAOYSA-N
XLogP1.74
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139488013
2-[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]oxyacetic acid
CID 139487408
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 153431040
6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide
CID 153343983
methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate
CID 139487530
1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139487545
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]-3-hydroxy-2,2-dimethylpropanoic acid
CID 139487275
lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate
CID 157480407
ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 139487972
lithium;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;ethyl 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-methylpropanoate;hydroxide
CID 160743456
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;pyrrolidine
CID 158129301
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
CID 157183075

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide (CID 139487736) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2nc3ccccn3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is PHYWGECHSHCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN9O/c19-11-4-6-27-10-22-12(17(27)16(11)20)7-21-18(30)13-8-28(26-24-13)9-14-23-15-3-1-2-5-29(15)25-14/h1-6,8,10H,7,9H2,(H,21,30).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 139487736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).