methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C49H50F6N6O7 — CID 167645912

IUPACmethane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.COC(=O)CC12CC(N)(C1)C2.COC(=O)CC12CC(NC(=O)c3cnn4cccc(Cc5cccc(C(F)(F)F)c5)c34)(C1)C2.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C24H22F3N3O3.C16H11F3N2O2.C8H13NO2.CH4/c1-33-19(31)10-22-12-23(13-22,14-22)29-21(32)18-11-28-30-7-3-5-16(20(18)30)8-15-4-2-6-17(9-15)24(25,26)27;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23;1-11-6(10)2-7-3-8(9,4-7)5-7;/h2-7,9,11H,8,10,12-14H2,1H3,(H,29,32);1-6,8-9H,7H2,(H,22,23);2-5,9H2,1H3;1H4
InChIKeyPWEGAZNUMIDQSD-UHFFFAOYSA-N
MW948.96 g/mol
LogP8.87
Rot. Bonds11

About methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167645912) has the molecular formula C49H50F6N6O7 and a molecular weight of 948.96 g/mol. Its IUPAC name is methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namemethane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167645912
Molecular FormulaC49H50F6N6O7
Molecular Weight948.96 g/mol
Exact Mass948.36
IUPAC Namemethane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.COC(=O)CC12CC(N)(C1)C2.COC(=O)CC12CC(NC(=O)c3cnn4cccc(Cc5cccc(C(F)(F)F)c5)c34)(C1)C2.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C24H22F3N3O3.C16H11F3N2O2.C8H13NO2.CH4/c1-33-19(31)10-22-12-23(13-22,14-22)29-21(32)18-11-28-30-7-3-5-16(20(18)30)8-15-4-2-6-17(9-15)24(25,26)27;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23;1-11-6(10)2-7-3-8(9,4-7)5-7;/h2-7,9,11H,8,10,12-14H2,1H3,(H,29,32);1-6,8-9H,7H2,(H,22,23);2-5,9H2,1H3;1H4
InChIKeyPWEGAZNUMIDQSD-UHFFFAOYSA-N
XLogP8.87
TPSA179.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.96
LogP ≤ 58.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5''-(2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6''-phenyl-[2,3''-bipyridine]-5-carboxylic acid
CID 118411513
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
3-(1-{[1-(4-fluoro-phenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-cyclopropyl)-benzoic acid
CID 52916889
5-[4,7,7-Trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045461
2-Methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045475
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 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
5-[[5-[(2R)-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 89634197
5-[[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 117772321
4-carbamoyl-5-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyrido[4,3-b]indole-8-carboxylic acid
CID 122604896
4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]methyl]piperidin-1-yl]benzoic acid
CID 140122405

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167645912) is methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is C.COC(=O)CC12CC(N)(C1)C2.COC(=O)CC12CC(NC(=O)c3cnn4cccc(Cc5cccc(C(F)(F)F)c5)c34)(C1)C2.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is PWEGAZNUMIDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3.C16H11F3N2O2.C8H13NO2.CH4/c1-33-19(31)10-22-12-23(13-22,14-22)29-21(32)18-11-28-30-7-3-5-16(20(18)30)8-15-4-2-6-17(9-15)24(25,26)27;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23;1-11-6(10)2-7-3-8(9,4-7)5-7;/h2-7,9,11H,8,10,12-14H2,1H3,(H,29,32);1-6,8-9H,7H2,(H,22,23);2-5,9H2,1H3;1H4.
What are the key properties of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 948.96 g/mol, XLogP of 8.87, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167645912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).