methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C49H50F6N6O7 — CID 167599489

About methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 167599489) 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-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 167599489
• Molecular Formula: C49H50F6N6O7
• Molecular Weight: 948.96 g/mol
• Exact Mass: 948.36
• IUPAC Name: methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: C.COC(=O)CC12CC(N)(C1)C2.COC(=O)CC12CC(NC(=O)c3ncn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2.O=C(O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
• InChI: InChI=1S/C24H22F3N3O3.C16H11F3N2O2.C8H13NO2.CH4/c1-33-18(31)10-22-11-23(12-22,13-22)29-21(32)19-20-16(3-2-8-30(20)14-28-19)9-15-4-6-17(7-5-15)24(25,26)27;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-9-20-13(14(11)21)15(22)23;1-11-6(10)2-7-3-8(9,4-7)5-7;/h2-8,14H,9-13H2,1H3,(H,29,32);1-7,9H,8H2,(H,22,23);2-5,9H2,1H3;1H4
• InChIKey: JNMONNKIYSNABG-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 179.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.96
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 167599489) is methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is C.COC(=O)CC12CC(N)(C1)C2.COC(=O)CC12CC(NC(=O)c3ncn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2.O=C(O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.

What is the InChIKey of methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is JNMONNKIYSNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3.C16H11F3N2O2.C8H13NO2.CH4/c1-33-18(31)10-22-11-23(12-22,13-22)29-21(32)19-20-16(3-2-8-30(20)14-28-19)9-15-4-6-17(7-5-15)24(25,26)27;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-9-20-13(14(11)21)15(22)23;1-11-6(10)2-7-3-8(9,4-7)5-7;/h2-8,14H,9-13H2,1H3,(H,29,32);1-7,9H,8H2,(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-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?

methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-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-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 167599489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).