sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide

C53H43F6N6NaO7 — CID 167536281

IUPACsodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide
SMILESCOC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.[Na+].[OH-]
InChIInChI=1S/C27H22F3N3O3.C26H20F3N3O3.Na.H2O/c1-36-25(35)18-6-10-20(11-7-18)26(12-13-26)32-24(34)22-16-31-33-14-2-3-19(23(22)33)15-17-4-8-21(9-5-17)27(28,29)30;27-26(28,29)20-7-3-16(4-8-20)14-18-2-1-13-32-22(18)21(15-30-32)23(33)31-25(11-12-25)19-9-5-17(6-10-19)24(34)35;;/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-10,13,15H,11-12,14H2,(H,31,33)(H,34,35);;1H2/q;;+1;/p-1
InChIKeyAPJOOHBDNTZCKV-UHFFFAOYSA-M
MW1012.94 g/mol
LogP7.04
Rot. Bonds12

About sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide

sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide (PubChem CID 167536281) has the molecular formula C53H43F6N6NaO7 and a molecular weight of 1012.94 g/mol. Its IUPAC name is sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide.

Molecular Properties

Compound Namesodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide
PubChem CID167536281
Molecular FormulaC53H43F6N6NaO7
Molecular Weight1012.94 g/mol
Exact Mass1012.30
IUPAC Namesodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide
SMILESCOC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.[Na+].[OH-]
InChIInChI=1S/C27H22F3N3O3.C26H20F3N3O3.Na.H2O/c1-36-25(35)18-6-10-20(11-7-18)26(12-13-26)32-24(34)22-16-31-33-14-2-3-19(23(22)33)15-17-4-8-21(9-5-17)27(28,29)30;27-26(28,29)20-7-3-16(4-8-20)14-18-2-1-13-32-22(18)21(15-30-32)23(33)31-25(11-12-25)19-9-5-17(6-10-19)24(34)35;;/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-10,13,15H,11-12,14H2,(H,31,33)(H,34,35);;1H2/q;;+1;/p-1
InChIKeyAPJOOHBDNTZCKV-UHFFFAOYSA-M
XLogP7.04
TPSA186.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.94
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-[1-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
CID 52917126
Methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 59411418
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
Methyl 4-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylate;4-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid
CID 87301789
Ethyl 5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylate;5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylic acid
CID 87301802
Methyl 4-[1-[5-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-2-methylpyridine-3-carbonyl]piperidin-4-yl]benzoate
CID 143451625
6-[Ethyl(methylamino)amino]-2-(4-fluorophenyl)-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 144249426
Methyl 6-[ethyl(methylamino)amino]-2-(4-fluorophenyl)-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144249454
Methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate
CID 155390661
methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 155390794
Methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 155390795
4-[1-[[4-[[4-(Trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 155390851

Frequently Asked Questions

What is the IUPAC name of sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide?
The IUPAC name of sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide (CID 167536281) is sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide.
What is the SMILES notation for sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide?
The canonical SMILES for sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide is COC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.[Na+].[OH-].
What is the InChIKey of sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide?
The InChIKey is APJOOHBDNTZCKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H22F3N3O3.C26H20F3N3O3.Na.H2O/c1-36-25(35)18-6-10-20(11-7-18)26(12-13-26)32-24(34)22-16-31-33-14-2-3-19(23(22)33)15-17-4-8-21(9-5-17)27(28,29)30;27-26(28,29)20-7-3-16(4-8-20)14-18-2-1-13-32-22(18)21(15-30-32)23(33)31-25(11-12-25)19-9-5-17(6-10-19)24(34)35;;/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-10,13,15H,11-12,14H2,(H,31,33)(H,34,35);;1H2/q;;+1;/p-1.
What are the key properties of sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide?
sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide has a molecular weight of 1012.94 g/mol, XLogP of 7.04, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid;hydroxide is sourced from PubChem (CID 167536281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).