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

C50H54F6N6O7 — CID 167691416

IUPACmethyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)C1CCC(CN)CC1.COC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/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;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;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyWZTLEDFOICELIO-UHFFFAOYSA-N
MW965.00 g/mol
LogP9.22
Rot. Bonds11

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

methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167691416) has the molecular formula C50H54F6N6O7 and a molecular weight of 965.00 g/mol. Its IUPAC name is methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167691416
Molecular FormulaC50H54F6N6O7
Molecular Weight965.00 g/mol
Exact Mass964.40
IUPAC Namemethyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)C1CCC(CN)CC1.COC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/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;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;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyWZTLEDFOICELIO-UHFFFAOYSA-N
XLogP9.22
TPSA179.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.00
LogP ≤ 59.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-[4-[[5-(1-Phenylpropylcarbamoyl)-2-propylpyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 76325126
4-[3-[4-Carboxy-2-fluoro-5-[[6-(2-methylpyrazol-3-yl)pyridazine-3-carbonyl]amino]phenyl]propyl]-5-fluoro-2-[[6-(2-methylpyrazol-3-yl)pyridazine-3-carbonyl]amino]benzoic acid
CID 167013438
N-[2-[4-[[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propyl-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 158748051
N-[2-[4-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156586
N-[2-[4-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propyl-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 177376822
US12473304, Example 371
CID 156829507
5-[[5-(1-Benzoylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylbenzoic acid
CID 172471645
4-[4-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]ethyl]piperidin-1-yl]benzoic acid
CID 16660328
4-[5-[[1-(4-Fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridin-2-yl]benzoic acid
CID 25117574
4-[4-[4-[[1-(4-Fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carbonyl]benzoic acid
CID 25117577
4-[[4-[1-(2,4-difluorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]methyl]benzoic acid
CID 57405080
4-[[4-[1-(4-fluorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]methyl]benzoic acid
CID 57405083

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167691416) is methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is COC(=O)C1CCC(CN)CC1.COC(=O)C1CCC(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is WZTLEDFOICELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/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;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;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-3,6-7,10-12,15,17-18H,4-5,8-9,13-14H2,1H3,(H,29,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3.
What are the key properties of methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 965.00 g/mol, XLogP of 9.22, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167691416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).