N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C30H29FN8O3 — CID 58239273

IUPACN-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CNCc5cn(Cc6ccccc6)nn5)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H29FN8O3/c1-20(40)33-14-26-19-39(30(41)42-26)25-8-9-27(28(31)11-25)22-7-10-29-34-23(17-37(29)16-22)12-32-13-24-18-38(36-35-24)15-21-5-3-2-4-6-21/h2-11,16-18,26,32H,12-15,19H2,1H3,(H,33,40)/t26-/m0/s1
InChIKeyPZJDOYQRDCNQPF-SANMLTNESA-N
MW568.61 g/mol
LogP3.53
Rot. Bonds10

About N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58239273) has the molecular formula C30H29FN8O3 and a molecular weight of 568.61 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58239273
Molecular FormulaC30H29FN8O3
Molecular Weight568.61 g/mol
Exact Mass568.23
IUPAC NameN-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CNCc5cn(Cc6ccccc6)nn5)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H29FN8O3/c1-20(40)33-14-26-19-39(30(41)42-26)25-8-9-27(28(31)11-25)22-7-10-29-34-23(17-37(29)16-22)12-32-13-24-18-38(36-35-24)15-21-5-3-2-4-6-21/h2-11,16-18,26,32H,12-15,19H2,1H3,(H,33,40)/t26-/m0/s1
InChIKeyPZJDOYQRDCNQPF-SANMLTNESA-N
XLogP3.53
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58239273) is N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CNCc5cn(Cc6ccccc6)nn5)cn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PZJDOYQRDCNQPF-SANMLTNESA-N. The full InChI is InChI=1S/C30H29FN8O3/c1-20(40)33-14-26-19-39(30(41)42-26)25-8-9-27(28(31)11-25)22-7-10-29-34-23(17-37(29)16-22)12-32-13-24-18-38(36-35-24)15-21-5-3-2-4-6-21/h2-11,16-18,26,32H,12-15,19H2,1H3,(H,33,40)/t26-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 568.61 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-[[(1-benzyltriazol-4-yl)methylamino]methyl]imidazo[1,2-a]pyridin-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58239273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).