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

C25H21ClFN9O3 — CID 139488328

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1
InChIInChI=1S/C25H21ClFN9O3/c26-17-3-4-33-13-29-18(22(33)21(17)27)8-28-24(37)19-12-35(32-31-19)11-16-10-34-9-15(14-1-2-14)7-20(23(34)30-16)36-5-6-39-25(36)38/h3-4,7,9-10,12-14H,1-2,5-6,8,11H2,(H,28,37)
InChIKeyQOZPQJGJKRLSPV-UHFFFAOYSA-N
MW549.95 g/mol
LogP3.18
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139488328) has the molecular formula C25H21ClFN9O3 and a molecular weight of 549.95 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139488328
Molecular FormulaC25H21ClFN9O3
Molecular Weight549.95 g/mol
Exact Mass549.14
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1
InChIInChI=1S/C25H21ClFN9O3/c26-17-3-4-33-13-29-18(22(33)21(17)27)8-28-24(37)19-12-35(32-31-19)11-16-10-34-9-15(14-1-2-14)7-20(23(34)30-16)36-5-6-39-25(36)38/h3-4,7,9-10,12-14H,1-2,5-6,8,11H2,(H,28,37)
InChIKeyQOZPQJGJKRLSPV-UHFFFAOYSA-N
XLogP3.18
TPSA123.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.95
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139488328) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOC4=O)c3n2)nn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is QOZPQJGJKRLSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN9O3/c26-17-3-4-33-13-29-18(22(33)21(17)27)8-28-24(37)19-12-35(32-31-19)11-16-10-34-9-15(14-1-2-14)7-20(23(34)30-16)36-5-6-39-25(36)38/h3-4,7,9-10,12-14H,1-2,5-6,8,11H2,(H,28,37).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxo-1,3-oxazolidin-3-yl)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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 549.95 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 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-(2-oxo-1,3-oxazolidin-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).