N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

C18H17N3O4S — CID 164633177

IUPACN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C18H17N3O4S/c22-16-11-26(24,25)10-15(16)20-18(23)13-6-7-17-19-14(9-21(17)8-13)12-4-2-1-3-5-12/h1-9,15-16,22H,10-11H2,(H,20,23)/t15-,16-/m0/s1
InChIKeyCDKATEPTRPWPCN-HOTGVXAUSA-N
MW371.42 g/mol
LogP0.89
Rot. Bonds3

About N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164633177) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID164633177
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C18H17N3O4S/c22-16-11-26(24,25)10-15(16)20-18(23)13-6-7-17-19-14(9-21(17)8-13)12-4-2-1-3-5-12/h1-9,15-16,22H,10-11H2,(H,20,23)/t15-,16-/m0/s1
InChIKeyCDKATEPTRPWPCN-HOTGVXAUSA-N
XLogP0.89
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (CID 164633177) is N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc2nc(-c3ccccc3)cn2c1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CDKATEPTRPWPCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-16-11-26(24,25)10-15(16)20-18(23)13-6-7-17-19-14(9-21(17)8-13)12-4-2-1-3-5-12/h1-9,15-16,22H,10-11H2,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164633177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).