5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide

C26H25ClF4N6O3S — CID 15950245

IUPAC5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C26H25ClF4N6O3S/c27-19-12-16(13-32-23(19)37-6-4-35(5-7-37)14-21(38)36-8-10-40-11-9-36)24(39)34-25-33-20(15-41-25)17-2-1-3-18(22(17)28)26(29,30)31/h1-3,12-13,15H,4-11,14H2,(H,33,34,39)
InChIKeyOUNOEWRHHMJZPS-UHFFFAOYSA-N
MW613.04 g/mol
LogP4.25
Rot. Bonds6

About 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide

5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 15950245) has the molecular formula C26H25ClF4N6O3S and a molecular weight of 613.04 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID15950245
Molecular FormulaC26H25ClF4N6O3S
Molecular Weight613.04 g/mol
Exact Mass612.13
IUPAC Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C26H25ClF4N6O3S/c27-19-12-16(13-32-23(19)37-6-4-35(5-7-37)14-21(38)36-8-10-40-11-9-36)24(39)34-25-33-20(15-41-25)17-2-1-3-18(22(17)28)26(29,30)31/h1-3,12-13,15H,4-11,14H2,(H,33,34,39)
InChIKeyOUNOEWRHHMJZPS-UHFFFAOYSA-N
XLogP4.25
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.04
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide (CID 15950245) is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is OUNOEWRHHMJZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF4N6O3S/c27-19-12-16(13-32-23(19)37-6-4-35(5-7-37)14-21(38)36-8-10-40-11-9-36)24(39)34-25-33-20(15-41-25)17-2-1-3-18(22(17)28)26(29,30)31/h1-3,12-13,15H,4-11,14H2,(H,33,34,39).
What are the key properties of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 613.04 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15950245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).