N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C60H59ClF6N8O6 — CID 164989668

IUPACN-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC#CC1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#CC2CCOCC2)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C30H29F3N4O3.C23H20ClF3N4O2.C7H10O/c1-20-2-4-24(36-29(38)22-6-9-34-28(17-22)30(31,32)33)18-25(20)23-16-27(37-10-14-40-15-11-37)26(35-19-23)5-3-21-7-12-39-13-8-21;1-14-2-3-17(30-22(32)15-4-5-28-20(11-15)23(25,26)27)12-18(14)16-10-19(21(24)29-13-16)31-6-8-33-9-7-31;1-2-7-3-5-8-6-4-7/h2,4,6,9,16-19,21H,7-8,10-15H2,1H3,(H,36,38);2-5,10-13H,6-9H2,1H3,(H,30,32);1,7H,3-6H2
InChIKeyGRDFOFVTNBSYLY-UHFFFAOYSA-N
MW1137.62 g/mol
LogP11.60
Rot. Bonds8

About N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164989668) has the molecular formula C60H59ClF6N8O6 and a molecular weight of 1137.62 g/mol. Its IUPAC name is N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID164989668
Molecular FormulaC60H59ClF6N8O6
Molecular Weight1137.62 g/mol
Exact Mass1136.42
IUPAC NameN-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC#CC1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#CC2CCOCC2)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C30H29F3N4O3.C23H20ClF3N4O2.C7H10O/c1-20-2-4-24(36-29(38)22-6-9-34-28(17-22)30(31,32)33)18-25(20)23-16-27(37-10-14-40-15-11-37)26(35-19-23)5-3-21-7-12-39-13-8-21;1-14-2-3-17(30-22(32)15-4-5-28-20(11-15)23(25,26)27)12-18(14)16-10-19(21(24)29-13-16)31-6-8-33-9-7-31;1-2-7-3-5-8-6-4-7/h2,4,6,9,16-19,21H,7-8,10-15H2,1H3,(H,36,38);2-5,10-13H,6-9H2,1H3,(H,30,32);1,7H,3-6H2
InChIKeyGRDFOFVTNBSYLY-UHFFFAOYSA-N
XLogP11.60
TPSA153.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.62
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

4-Chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-[5-(morpholin-4-yl)pyridin-3-yl]ethynyl]benzamide
CID 123752658
N-[5-(6-chloro-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609564
US11377431, Example 23
CID 163255591
US11377431, Example 40
CID 163255593
US11377431, Example 49
CID 163255595
US11377431, Example 32
CID 163255608
US11377431, Example 28
CID 163255614
US11377431, Example 48
CID 163255632
US11377431, Example 25
CID 163255639
US11377431, Example 36
CID 163255642
US11377431, Example 34
CID 163255646
US11377431, Example 56
CID 163255647

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164989668) is N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C#CC1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#CC2CCOCC2)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.
What is the InChIKey of N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GRDFOFVTNBSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O3.C23H20ClF3N4O2.C7H10O/c1-20-2-4-24(36-29(38)22-6-9-34-28(17-22)30(31,32)33)18-25(20)23-16-27(37-10-14-40-15-11-37)26(35-19-23)5-3-21-7-12-39-13-8-21;1-14-2-3-17(30-22(32)15-4-5-28-20(11-15)23(25,26)27)12-18(14)16-10-19(21(24)29-13-16)31-6-8-33-9-7-31;1-2-7-3-5-8-6-4-7/h2,4,6,9,16-19,21H,7-8,10-15H2,1H3,(H,36,38);2-5,10-13H,6-9H2,1H3,(H,30,32);1,7H,3-6H2.
What are the key properties of N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1137.62 g/mol, XLogP of 11.60, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164989668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).