sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide

C49H39F6N6NaO7 — CID 167685738

IUPACsodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide
SMILESCOC(=O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.O=C(O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.[Na+].[OH-]
InChIInChI=1S/C25H20F3N3O3.C24H18F3N3O3.Na.H2O/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)25(26,27)28;25-24(26,27)18-7-3-15(4-8-18)12-17-2-1-11-30-22(17)20(14-28-30)23(33)29-19-9-5-16(6-10-19)13-21(31)32;;/h2-12,15H,13-14H2,1H3,(H,30,33);1-11,14H,12-13H2,(H,29,33)(H,31,32);;1H2/q;;+1;/p-1
InChIKeyWELMJOVMXWJFLM-UHFFFAOYSA-M
MW960.86 g/mol
LogP6.56
Rot. Bonds12

About sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide

sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide (PubChem CID 167685738) has the molecular formula C49H39F6N6NaO7 and a molecular weight of 960.86 g/mol. Its IUPAC name is sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide.

Molecular Properties

Compound Namesodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide
PubChem CID167685738
Molecular FormulaC49H39F6N6NaO7
Molecular Weight960.86 g/mol
Exact Mass960.27
IUPAC Namesodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide
SMILESCOC(=O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.O=C(O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.[Na+].[OH-]
InChIInChI=1S/C25H20F3N3O3.C24H18F3N3O3.Na.H2O/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)25(26,27)28;25-24(26,27)18-7-3-15(4-8-18)12-17-2-1-11-30-22(17)20(14-28-30)23(33)29-19-9-5-16(6-10-19)13-21(31)32;;/h2-12,15H,13-14H2,1H3,(H,30,33);1-11,14H,12-13H2,(H,29,33)(H,31,32);;1H2/q;;+1;/p-1
InChIKeyWELMJOVMXWJFLM-UHFFFAOYSA-M
XLogP6.56
TPSA186.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.86
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide with MolForge

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Related Compounds

4-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 118952366
(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid
CID 118952367
3-[[6-(3-Carbamoylpyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carbonyl]amino]-2,2-difluoropropanoic acid
CID 135308498
3-[4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]phenyl]propanoic acid
CID 140122380
Methyl 2-[4-[4-[[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]methyl]piperidin-1-yl]phenyl]-2-methylpropanoate
CID 140122394
2-[4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]phenyl]-2-methylpropanoic acid
CID 140122395
1-tert-butyl-5-(4-fluorophenyl)-N-[1-[[1-[4-(2-hydroxy-2-methylpropyl)phenyl]piperidin-4-yl]methyl]-3-methylindol-6-yl]pyrazole-4-carboxamide
CID 140122397
1-tert-butyl-5-(4-fluorophenyl)-N-[1-[[1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]piperidin-4-yl]methyl]-3-methylindol-6-yl]pyrazole-4-carboxamide
CID 140122398
2-[4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]phenyl]acetic acid
CID 140122406
Ethyl 2-[4-[4-[[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]phenyl]acetate
CID 140122415
2-[4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]methyl]piperidin-1-yl]phenyl]acetic acid
CID 140122418
Ethyl 2-[4-[4-[[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]methyl]piperidin-1-yl]phenyl]acetate
CID 140122420

Frequently Asked Questions

What is the IUPAC name of sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide?
The IUPAC name of sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide (CID 167685738) is sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide.
What is the SMILES notation for sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide?
The canonical SMILES for sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide is COC(=O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.O=C(O)Cc1ccc(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.[Na+].[OH-].
What is the InChIKey of sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide?
The InChIKey is WELMJOVMXWJFLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20F3N3O3.C24H18F3N3O3.Na.H2O/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)25(26,27)28;25-24(26,27)18-7-3-15(4-8-18)12-17-2-1-11-30-22(17)20(14-28-30)23(33)29-19-9-5-16(6-10-19)13-21(31)32;;/h2-12,15H,13-14H2,1H3,(H,30,33);1-11,14H,12-13H2,(H,29,33)(H,31,32);;1H2/q;;+1;/p-1.
What are the key properties of sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide?
sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide has a molecular weight of 960.86 g/mol, XLogP of 6.56, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetate;2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]acetic acid;hydroxide is sourced from PubChem (CID 167685738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).