N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C22H23FN4O2S — CID 145128231

IUPACN-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(CN4CCS(=O)CC4)cc3F)cccc2n1)C1CC1
InChIInChI=1S/C22H23FN4O2S/c23-18-12-15(13-26-8-10-30(29)11-9-26)4-7-17(18)19-2-1-3-21-24-20(14-27(19)21)25-22(28)16-5-6-16/h1-4,7,12,14,16H,5-6,8-11,13H2,(H,25,28)
InChIKeyTYQORTNXYVOGIH-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.05
Rot. Bonds5

About N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 145128231) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID145128231
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(CN4CCS(=O)CC4)cc3F)cccc2n1)C1CC1
InChIInChI=1S/C22H23FN4O2S/c23-18-12-15(13-26-8-10-30(29)11-9-26)4-7-17(18)19-2-1-3-21-24-20(14-27(19)21)25-22(28)16-5-6-16/h1-4,7,12,14,16H,5-6,8-11,13H2,(H,25,28)
InChIKeyTYQORTNXYVOGIH-UHFFFAOYSA-N
XLogP3.05
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(cyanomethyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 122462783
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 122462780
N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 145128203
N-[4-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572264
N-[5-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(4-isocyanopiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 160688071
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 158109235
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 145128231) is N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)CC4)cc3F)cccc2n1)C1CC1.
What is the InChIKey of N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is TYQORTNXYVOGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-18-12-15(13-26-8-10-30(29)11-9-26)4-7-17(18)19-2-1-3-21-24-20(14-27(19)21)25-22(28)16-5-6-16/h1-4,7,12,14,16H,5-6,8-11,13H2,(H,25,28).
What are the key properties of N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 145128231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).