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

C54H46F6N6O7 — CID 167637440

IUPACmethyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(C2(N)CC2)cc1.COC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C27H22F3N3O3.C16H11F3N2O2.C11H13NO2/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;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-7,9H,8H2,(H,22,23);2-5H,6-7,12H2,1H3
InChIKeyOREQRLIWZQXNSD-UHFFFAOYSA-N
MW1004.98 g/mol
LogP10.21
Rot. Bonds11

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

methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167637440) has the molecular formula C54H46F6N6O7 and a molecular weight of 1004.98 g/mol. Its IUPAC name is methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namemethyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167637440
Molecular FormulaC54H46F6N6O7
Molecular Weight1004.98 g/mol
Exact Mass1004.33
IUPAC Namemethyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(C2(N)CC2)cc1.COC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C27H22F3N3O3.C16H11F3N2O2.C11H13NO2/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;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-7,9H,8H2,(H,22,23);2-5H,6-7,12H2,1H3
InChIKeyOREQRLIWZQXNSD-UHFFFAOYSA-N
XLogP10.21
TPSA179.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001004.98
LogP ≤ 510.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid 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
Methyl 2-(4-fluorophenyl)-6-(3-hydroxypropylsulfonylamino)-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68466527
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
Butyl-[2-(4-fluorophenyl)-3-methoxycarbonyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridin-6-yl]-methyl-methylsulfonylazanium
CID 90742177
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167637440) is methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is COC(=O)c1ccc(C2(N)CC2)cc1.COC(=O)c1ccc(C2(NC(=O)c3cnn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is OREQRLIWZQXNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O3.C16H11F3N2O2.C11H13NO2/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;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-11,14,16H,12-13,15H2,1H3,(H,32,34);1-7,9H,8H2,(H,22,23);2-5H,6-7,12H2,1H3.
What are the key properties of methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 1004.98 g/mol, XLogP of 10.21, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminocyclopropyl)benzoate;methyl 4-[1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopropyl]benzoate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167637440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).