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

C27H26ClFN8O3 — CID 139487320

IUPACN-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4COC4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C27H26ClFN8O3/c1-14(23-24-22(29)20(28)4-5-35(24)13-30-23)31-27(39)21-10-37(34-33-21)9-18-8-36-7-16(15-2-3-15)6-19(26(36)32-18)25(38)17-11-40-12-17/h4-8,10,13-15,17,25,38H,2-3,9,11-12H2,1H3,(H,31,39)
InChIKeyVLWOOFCIHAHAPJ-UHFFFAOYSA-N
MW565.01 g/mol
LogP3.46
Rot. Bonds8

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

N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487320) has the molecular formula C27H26ClFN8O3 and a molecular weight of 565.01 g/mol. Its IUPAC name is N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487320
Molecular FormulaC27H26ClFN8O3
Molecular Weight565.01 g/mol
Exact Mass564.18
IUPAC NameN-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4COC4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C27H26ClFN8O3/c1-14(23-24-22(29)20(28)4-5-35(24)13-30-23)31-27(39)21-10-37(34-33-21)9-18-8-36-7-16(15-2-3-15)6-19(26(36)32-18)25(38)17-11-40-12-17/h4-8,10,13-15,17,25,38H,2-3,9,11-12H2,1H3,(H,31,39)
InChIKeyVLWOOFCIHAHAPJ-UHFFFAOYSA-N
XLogP3.46
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.01
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487320) is N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is CC(NC(=O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4COC4)c3n2)nn1)c1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is VLWOOFCIHAHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN8O3/c1-14(23-24-22(29)20(28)4-5-35(24)13-30-23)31-27(39)21-10-37(34-33-21)9-18-8-36-7-16(15-2-3-15)6-19(26(36)32-18)25(38)17-11-40-12-17/h4-8,10,13-15,17,25,38H,2-3,9,11-12H2,1H3,(H,31,39).
What are the key properties of N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 565.01 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).