4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H20ClFN4O4S — CID 176892234

IUPAC4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCOCC2)s1
InChIInChI=1S/C22H20ClFN4O4S/c1-11-7-13(17-15(31-2)9-26-20(23)18(17)24)14(8-25-11)21(30)28-22-27-10-16(33-22)19(29)12-3-5-32-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,27,28,30)
InChIKeyQNZRZIDGNAWMID-UHFFFAOYSA-N
MW490.94 g/mol
LogP4.57
Rot. Bonds6

About 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 176892234) has the molecular formula C22H20ClFN4O4S and a molecular weight of 490.94 g/mol. Its IUPAC name is 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID176892234
Molecular FormulaC22H20ClFN4O4S
Molecular Weight490.94 g/mol
Exact Mass490.09
IUPAC Name4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCOCC2)s1
InChIInChI=1S/C22H20ClFN4O4S/c1-11-7-13(17-15(31-2)9-26-20(23)18(17)24)14(8-25-11)21(30)28-22-27-10-16(33-22)19(29)12-3-5-32-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,27,28,30)
InChIKeyQNZRZIDGNAWMID-UHFFFAOYSA-N
XLogP4.57
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 176892213
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-[[(2S)-1,4-dioxan-2-yl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 167102993
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide
CID 177252322
butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane
CID 163390836
4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 166163492
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(cyclopentanecarbonyl)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892198
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
CID 177169795
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[[(3S)-oxolan-3-yl]methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 163391355
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892278
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390637
2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide
CID 167932235
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[[(3S,4S)-6-oxaspiro[3.4]octan-3-yl]oxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 166163416

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 176892234) is 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCOCC2)s1.
What is the InChIKey of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is QNZRZIDGNAWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O4S/c1-11-7-13(17-15(31-2)9-26-20(23)18(17)24)14(8-25-11)21(30)28-22-27-10-16(33-22)19(29)12-3-5-32-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,27,28,30).
What are the key properties of 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 490.94 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176892234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).