ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C53H62F6N6O7 — CID 167535965

IUPACethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.CCOC(=O)CC1CCC(N)CC1.CCOC(=O)CC1CCC(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C26H28F3N3O3.C16H11F3N2O2.C10H19NO2.CH4/c1-2-35-23(33)15-18-7-11-21(12-8-18)31-25(34)22-16-30-32-13-3-4-19(24(22)32)14-17-5-9-20(10-6-17)26(27,28)29;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;1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h3-6,9-10,13,16,18,21H,2,7-8,11-12,14-15H2,1H3,(H,31,34);1-7,9H,8H2,(H,22,23);8-9H,2-7,11H2,1H3;1H4
InChIKeyAOIWZMWWEWAOIK-UHFFFAOYSA-N
MW1009.10 g/mol
LogP10.92
Rot. Bonds13

About ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167535965) has the molecular formula C53H62F6N6O7 and a molecular weight of 1009.10 g/mol. Its IUPAC name is ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167535965
Molecular FormulaC53H62F6N6O7
Molecular Weight1009.10 g/mol
Exact Mass1008.46
IUPAC Nameethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.CCOC(=O)CC1CCC(N)CC1.CCOC(=O)CC1CCC(NC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)CC1.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C26H28F3N3O3.C16H11F3N2O2.C10H19NO2.CH4/c1-2-35-23(33)15-18-7-11-21(12-8-18)31-25(34)22-16-30-32-13-3-4-19(24(22)32)14-17-5-9-20(10-6-17)26(27,28)29;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;1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h3-6,9-10,13,16,18,21H,2,7-8,11-12,14-15H2,1H3,(H,31,34);1-7,9H,8H2,(H,22,23);8-9H,2-7,11H2,1H3;1H4
InChIKeyAOIWZMWWEWAOIK-UHFFFAOYSA-N
XLogP10.92
TPSA179.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.10
LogP ≤ 510.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;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
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
CID 165437238
CID 165437238
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-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 165437239
US12473304, Example 371
CID 156829507
5-[[5-(1-Benzoylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylbenzoic acid
CID 172471645
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-[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
6-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamido)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89618999
6-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89619001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167535965) is ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is C.CCOC(=O)CC1CCC(N)CC1.CCOC(=O)CC1CCC(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 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is AOIWZMWWEWAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O3.C16H11F3N2O2.C10H19NO2.CH4/c1-2-35-23(33)15-18-7-11-21(12-8-18)31-25(34)22-16-30-32-13-3-4-19(24(22)32)14-17-5-9-20(10-6-17)26(27,28)29;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;1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h3-6,9-10,13,16,18,21H,2,7-8,11-12,14-15H2,1H3,(H,31,34);1-7,9H,8H2,(H,22,23);8-9H,2-7,11H2,1H3;1H4.
What are the key properties of ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 1009.10 g/mol, XLogP of 10.92, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminocyclohexyl)acetate;ethyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;methane;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167535965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).