6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide

C43H43ClF6N12O4 — CID 158860999

IUPAC6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C24H28F3N7O2.C19H15ClF3N5O2/c1-33(2)14-6-11-28-20-10-9-17(15-31-20)22(35)29-12-13-30-23(36)19-16-34(18-7-4-3-5-8-18)32-21(19)24(25,26)27;20-15-7-6-12(10-26-15)17(29)24-8-9-25-18(30)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,28,31)(H,29,35)(H,30,36);1-7,10-11H,8-9H2,(H,24,29)(H,25,30)
InChIKeyJAQNYICLAGBDKJ-UHFFFAOYSA-N
MW941.34 g/mol
LogP5.91
Rot. Bonds17

About 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide

6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 158860999) has the molecular formula C43H43ClF6N12O4 and a molecular weight of 941.34 g/mol. Its IUPAC name is 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID158860999
Molecular FormulaC43H43ClF6N12O4
Molecular Weight941.34 g/mol
Exact Mass940.31
IUPAC Name6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C24H28F3N7O2.C19H15ClF3N5O2/c1-33(2)14-6-11-28-20-10-9-17(15-31-20)22(35)29-12-13-30-23(36)19-16-34(18-7-4-3-5-8-18)32-21(19)24(25,26)27;20-15-7-6-12(10-26-15)17(29)24-8-9-25-18(30)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,28,31)(H,29,35)(H,30,36);1-7,10-11H,8-9H2,(H,24,29)(H,25,30)
InChIKeyJAQNYICLAGBDKJ-UHFFFAOYSA-N
XLogP5.91
TPSA193.09 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.34
LogP ≤ 55.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-3-methyl-N-[1-[[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 162520090
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
US20230286958, Example 190
CID 162520361
US20230286958, Example 100
CID 162520436
US20240018122, Example 156
CID 168072440
US20240018122, Example 155
CID 168072478
US20230286958, Example 46
CID 168679531
US20230286958, Example 127
CID 168679568
(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-piperazin-1-yl]-methanone
CID 651552
US10023562, Example 168
CID 90154935

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 158860999) is 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cn1.O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is JAQNYICLAGBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O2.C19H15ClF3N5O2/c1-33(2)14-6-11-28-20-10-9-17(15-31-20)22(35)29-12-13-30-23(36)19-16-34(18-7-4-3-5-8-18)32-21(19)24(25,26)27;20-15-7-6-12(10-26-15)17(29)24-8-9-25-18(30)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,28,31)(H,29,35)(H,30,36);1-7,10-11H,8-9H2,(H,24,29)(H,25,30).
What are the key properties of 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 941.34 g/mol, XLogP of 5.91, 17 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide;6-[3-(dimethylamino)propylamino]-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 158860999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).