4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C26H19F4N5O4S — CID 58263659

IUPAC4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C26H19F4N5O4S/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38)
InChIKeyBXSNHSXTTDWPFS-UHFFFAOYSA-N
MW573.53 g/mol
LogP5.92
Rot. Bonds8

About 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58263659) has the molecular formula C26H19F4N5O4S and a molecular weight of 573.53 g/mol. Its IUPAC name is 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58263659
Molecular FormulaC26H19F4N5O4S
Molecular Weight573.53 g/mol
Exact Mass573.11
IUPAC Name4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C26H19F4N5O4S/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38)
InChIKeyBXSNHSXTTDWPFS-UHFFFAOYSA-N
XLogP5.92
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.53
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142736778
N-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 134294500
4-[[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 127047276
N-methyl-4-[[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 127046490
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 71609222
N-[2-(diethylamino)ethyl]-7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290277
N-(2-aminoethyl)-7-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290749
5-(4-fluorophenyl)-2-(methylamino)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1,3-thiazole-4-carboxamide
CID 164610795
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 164621988
N-(4-Chloro-3-(trifluoromethyl)phenyl)-((4-(2-(N-methyl-carbamoyl)(4-pyridyloxy))phenyl)amino)
CID 6605249
N-methyl-4-[[2-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 142736776
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 60150683

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 58263659) is 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is BXSNHSXTTDWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O4S/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38).
What are the key properties of 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 573.53 g/mol, XLogP of 5.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58263659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).