6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C16H12BrFN4O — CID 5497455

IUPAC6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN4O/c1-10-15(22-9-12(17)4-7-14(22)20-10)16(23)21-19-8-11-2-5-13(18)6-3-11/h2-9H,1H3,(H,21,23)/b19-8-
InChIKeyOTAVLTNBGZUYHW-UWVJOHFNSA-N
MW375.20 g/mol
LogP3.31
Rot. Bonds3

About 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5497455) has the molecular formula C16H12BrFN4O and a molecular weight of 375.20 g/mol. Its IUPAC name is 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5497455
Molecular FormulaC16H12BrFN4O
Molecular Weight375.20 g/mol
Exact Mass374.02
IUPAC Name6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN4O/c1-10-15(22-9-12(17)4-7-14(22)20-10)16(23)21-19-8-11-2-5-13(18)6-3-11/h2-9H,1H3,(H,21,23)/b19-8-
InChIKeyOTAVLTNBGZUYHW-UWVJOHFNSA-N
XLogP3.31
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 171988440
6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 126018157
6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 124539662
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5416113
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009610
N-[(4-bromophenyl)methylideneamino]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 1003079
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877
6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 161378577
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 5497455) is 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OTAVLTNBGZUYHW-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H12BrFN4O/c1-10-15(22-9-12(17)4-7-14(22)20-10)16(23)21-19-8-11-2-5-13(18)6-3-11/h2-9H,1H3,(H,21,23)/b19-8-.
What are the key properties of 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 375.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5497455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).