6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

C18H20FN7O2S — CID 177246244

IUPAC6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(Nc4nccs4)no3)CC2)c(F)n1
InChIInChI=1S/C18H20FN7O2S/c1-20-17(27)13-2-3-14(16(19)22-13)26-7-5-25(6-8-26)11-12-10-15(24-28-12)23-18-21-4-9-29-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,27)(H,21,23,24)
InChIKeyUHMWDIUFTHOBOB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.09
Rot. Bonds6

About 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 177246244) has the molecular formula C18H20FN7O2S and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID177246244
Molecular FormulaC18H20FN7O2S
Molecular Weight417.47 g/mol
Exact Mass417.14
IUPAC Name6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(Nc4nccs4)no3)CC2)c(F)n1
InChIInChI=1S/C18H20FN7O2S/c1-20-17(27)13-2-3-14(16(19)22-13)26-7-5-25(6-8-26)11-12-10-15(24-28-12)23-18-21-4-9-29-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,27)(H,21,23,24)
InChIKeyUHMWDIUFTHOBOB-UHFFFAOYSA-N
XLogP2.09
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-5-[4-[[3-fluoro-2-(2-hydroxyethylcarbamoylamino)-4-pyridinyl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172603470
6-fluoro-5-[4-[(9-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572859
6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171545008
6-fluoro-N-methyl-5-[4-[(4-oxo-5H-[1,2]oxazolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560054
5-[4-[(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169189566
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171544967
6-fluoro-5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982808
6-fluoro-N-methyl-5-[4-[(6-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572839
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
5-[4-[(3-ethyl-5-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169102592

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 177246244) is 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc(Nc4nccs4)no3)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is UHMWDIUFTHOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2S/c1-20-17(27)13-2-3-14(16(19)22-13)26-7-5-25(6-8-26)11-12-10-15(24-28-12)23-18-21-4-9-29-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,27)(H,21,23,24).
What are the key properties of 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[4-[[3-(1,3-thiazol-2-ylamino)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).