methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C49H50F6N6O6 — CID 167624930

IUPACmethyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(NCC1CCC(C(=O)O)CC1)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H26F3N3O3.C24H24F3N3O3/c1-34-24(33)18-8-4-17(5-9-18)14-29-23(32)21-15-30-31-12-2-3-19(22(21)31)13-16-6-10-20(11-7-16)25(26,27)28;25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-2,5-6,9-11,14,16-17H,3-4,7-8,12-13H2,(H,28,31)(H,32,33)
InChIKeyMYVKPRHBOBWFGJ-UHFFFAOYSA-N
MW932.96 g/mol
LogP9.22
Rot. Bonds12

About methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 167624930) has the molecular formula C49H50F6N6O6 and a molecular weight of 932.96 g/mol. Its IUPAC name is methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namemethyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID167624930
Molecular FormulaC49H50F6N6O6
Molecular Weight932.96 g/mol
Exact Mass932.37
IUPAC Namemethyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(NCC1CCC(C(=O)O)CC1)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H26F3N3O3.C24H24F3N3O3/c1-34-24(33)18-8-4-17(5-9-18)14-29-23(32)21-15-30-31-12-2-3-19(22(21)31)13-16-6-10-20(11-7-16)25(26,27)28;25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-2,5-6,9-11,14,16-17H,3-4,7-8,12-13H2,(H,28,31)(H,32,33)
InChIKeyMYVKPRHBOBWFGJ-UHFFFAOYSA-N
XLogP9.22
TPSA156.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.96
LogP ≤ 59.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(R)-4-((2-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-5-((2-fluoro-3-hydroxy-3-methylbutyl) carbamoyl)pyridin-4-yl)amino)bicyclo[2.2.2] octan-1-yl acetate
CID 135307856
7-(5-((3-(Dimethylamino)-2,2-difluoro-3-oxopropyl) carbamoyl)-4-((4-hydroxybicyclo[2.2.2] octan-1-yl)amino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 138704473
US11479550, Example 2-27(4)
CID 166175782
(S)-methyl 3-((6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-4-((4-hydroxy-bicyclo[2.2.2]octan-1-yl)amino)nicotinamido) methyl)pyrrolidine-1-carboxylate
CID 138704378
(R)-methyl 3-((6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-4-((4-hydroxybicyclo[2.2.2] octan-1-yl)amino)nicotin-amido)methyl)pyrrolidine-1-carboxylate
CID 138704566
cis-(1S,2R)-2-[[5-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 172472281
cis-(1R,2S)-2-[[5-(1-benzoylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 172472571
2-[4-[4-[5-[[1-Methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
CID 24937145
2-[4-[4-[5-[[1-Methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
CID 66615866
3-[[4-[[4-[1-(4-fluorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]methyl]benzoyl]amino]propanoic acid
CID 67976711
4-(3-(5-(2-(2,2-Dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-ylcarbamoyl)pyrazolo[1,5-a]pyridin-6-yl)-2-fluorobenzoic acid
CID 71283279
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598625

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 167624930) is methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is COC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(NCC1CCC(C(=O)O)CC1)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MYVKPRHBOBWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3.C24H24F3N3O3/c1-34-24(33)18-8-4-17(5-9-18)14-29-23(32)21-15-30-31-12-2-3-19(22(21)31)13-16-6-10-20(11-7-16)25(26,27)28;25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-2,5-6,9-11,14,16-17H,3-4,7-8,12-13H2,(H,28,31)(H,32,33).
What are the key properties of methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 932.96 g/mol, XLogP of 9.22, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).