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

C50H54F6N6O7 — CID 167591553

IUPACethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCC(N)CC1.CCOC(=O)C1CCC(NC(=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/c1-2-34-24(33)17-7-11-20(12-8-17)30-23(32)21-15-29-31-13-3-4-18(22(21)31)14-16-5-9-19(10-6-16)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;1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,9-10,13,15,17,20H,2,7-8,11-12,14H2,1H3,(H,30,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyIMUIWLZGVAAAJW-UHFFFAOYSA-N
MW965.00 g/mol
LogP9.50
Rot. Bonds11

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

ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167591553) has the molecular formula C50H54F6N6O7 and a molecular weight of 965.00 g/mol. Its IUPAC name is ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167591553
Molecular FormulaC50H54F6N6O7
Molecular Weight965.00 g/mol
Exact Mass964.40
IUPAC Nameethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCC(N)CC1.CCOC(=O)C1CCC(NC(=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/c1-2-34-24(33)17-7-11-20(12-8-17)30-23(32)21-15-29-31-13-3-4-18(22(21)31)14-16-5-9-19(10-6-16)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;1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,9-10,13,15,17,20H,2,7-8,11-12,14H2,1H3,(H,30,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyIMUIWLZGVAAAJW-UHFFFAOYSA-N
XLogP9.50
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 ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Related Compounds

4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]benzoic acid
CID 16660329
5''-(2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6''-phenyl-[2,3''-bipyridine]-5-carboxylic acid
CID 118411513
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
US12473304, Example 371
CID 156829507
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-[3-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indol-1-yl]ethyl]pyrrolidin-1-yl]benzoic acid
CID 25099962
ethyl 5-[(2R,4S)-4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 60171692
3-[[4-[[Cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]amino]benzoyl]amino]propanoic acid;3-ethyl-1-methylpyrazole-4-carboxylic acid
CID 66778409
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
Ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 72673016
methyl 2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]-1H-pyridine-2-carboxylate;2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-4-carboxylic acid
CID 87301678
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167591553) is ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CCOC(=O)C1CCC(N)CC1.CCOC(=O)C1CCC(NC(=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 ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is IMUIWLZGVAAAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/c1-2-34-24(33)17-7-11-20(12-8-17)30-23(32)21-15-29-31-13-3-4-18(22(21)31)14-16-5-9-19(10-6-16)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;1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,9-10,13,15,17,20H,2,7-8,11-12,14H2,1H3,(H,30,32);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3.
What are the key properties of ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]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 9.50, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167591553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).