3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate

C18H13FN6O2 — CID 162514986

IUPAC3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate
SMILESO=C(Nc1cc(F)ccn1)c1c([O-])[n+](Cc2cncnc2)c2ccccn12
InChIInChI=1S/C18H13FN6O2/c19-13-4-5-22-14(7-13)23-17(26)16-18(27)25(10-12-8-20-11-21-9-12)15-3-1-2-6-24(15)16/h1-9,11H,10H2,(H-,22,23,26,27)
InChIKeyBJFUUQCBGVKZHB-UHFFFAOYSA-N
MW364.34 g/mol
LogP0.93
Rot. Bonds4

About 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate

3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate (PubChem CID 162514986) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate.

Molecular Properties

Compound Name3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate
PubChem CID162514986
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate
SMILESO=C(Nc1cc(F)ccn1)c1c([O-])[n+](Cc2cncnc2)c2ccccn12
InChIInChI=1S/C18H13FN6O2/c19-13-4-5-22-14(7-13)23-17(26)16-18(27)25(10-12-8-20-11-21-9-12)15-3-1-2-6-24(15)16/h1-9,11H,10H2,(H-,22,23,26,27)
InChIKeyBJFUUQCBGVKZHB-UHFFFAOYSA-N
XLogP0.93
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate
CID 162514962
1-[(6-chloro-3-pyridinyl)methyl]-N-(5-fluoro-2-pyridinyl)-2-hydroxyimidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 162515027
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 162515037
N-(4-bromo-2-pyridinyl)-1-(2-cyanoethyl)-2-hydroxyimidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 162514933
1-(2-cyanoethyl)-N-(5-fluoro-2-pyridinyl)-2-hydroxyimidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 162515073
N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide
CID 142925546
N-(6-bromo-2-pyridinyl)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-hydroxyimidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 162515007
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
1-[(6-chloro-3-pyridinyl)methyl]-2-hydroxy-3-(2,3,6-trifluorophenyl)pyrido[1,2-a]pyrimidin-1-ium-4-one
CID 50939385
3-fluoro-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 118707792
4-[8-(1-but-2-ynoylpyrrolidin-2-yl)quinazolin-6-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 134265032
N-(4-fluoro-2-pyridinyl)pyrazin-2-amine
CID 153337930

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate?
The IUPAC name of 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate (CID 162514986) is 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate.
What is the SMILES notation for 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate?
The canonical SMILES for 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate is O=C(Nc1cc(F)ccn1)c1c([O-])[n+](Cc2cncnc2)c2ccccn12.
What is the InChIKey of 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate?
The InChIKey is BJFUUQCBGVKZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-13-4-5-22-14(7-13)23-17(26)16-18(27)25(10-12-8-20-11-21-9-12)15-3-1-2-6-24(15)16/h1-9,11H,10H2,(H-,22,23,26,27).
What are the key properties of 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate?
3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate has a molecular weight of 364.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-pyridinyl)carbamoyl]-1-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-1-ium-2-olate is sourced from PubChem (CID 162514986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).