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

C50H54F6N6O7 — CID 167614123

IUPACmethyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)CC1CCC(N)CC1.COC(=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/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)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)6-7-2-4-8(10)5-3-7/h2-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1H3,(H,30,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyLMHUQARZXVAVBV-UHFFFAOYSA-N
MW965.00 g/mol
LogP9.50
Rot. Bonds11

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

methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167614123) has the molecular formula C50H54F6N6O7 and a molecular weight of 965.00 g/mol. Its IUPAC name is methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namemethyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167614123
Molecular FormulaC50H54F6N6O7
Molecular Weight965.00 g/mol
Exact Mass964.40
IUPAC Namemethyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)CC1CCC(N)CC1.COC(=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/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)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)6-7-2-4-8(10)5-3-7/h2-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1H3,(H,30,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3
InChIKeyLMHUQARZXVAVBV-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 methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;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
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
cis-(1S,2R)-2-[[5-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 172472281
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-[4-[4-[[1-(4-Fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carbonyl]benzoic acid
CID 25117577
3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl)benzoic acid
CID 59233673
3-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl)-4-methylbenzoic acid
CID 59233811
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167614123) is methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is COC(=O)CC1CCC(N)CC1.COC(=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 methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is LMHUQARZXVAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3.C16H11F3N2O2.C9H17NO2/c1-34-22(32)14-17-6-10-20(11-7-17)30-24(33)21-15-29-31-12-2-3-18(23(21)31)13-16-4-8-19(9-5-16)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)6-7-2-4-8(10)5-3-7/h2-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1H3,(H,30,33);1-7,9H,8H2,(H,22,23);7-8H,2-6,10H2,1H3.
What are the key properties of methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;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 methyl 2-(4-aminocyclohexyl)acetate;methyl 2-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]acetate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167614123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).