N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

C25H35F3N6O3 — CID 167522618

IUPACN-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILESCC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(NC=O)c1cccc2nccn12
InChIInChI=1S/C11H17F3N2O2.C10H8N4O.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;11-6-8(13-7-15)9-2-1-3-10-12-4-5-14(9)10;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);1-5,7-8H,(H,13,15);4H,1-3H3/t7-;;/m0../s1
InChIKeyZIZINFZAGDJXQZ-KLXURFKVSA-N
MW524.59 g/mol
LogP3.48
Rot. Bonds5

About N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167522618) has the molecular formula C25H35F3N6O3 and a molecular weight of 524.59 g/mol. Its IUPAC name is N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
PubChem CID167522618
Molecular FormulaC25H35F3N6O3
Molecular Weight524.59 g/mol
Exact Mass524.27
IUPAC NameN-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILESCC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(NC=O)c1cccc2nccn12
InChIInChI=1S/C11H17F3N2O2.C10H8N4O.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;11-6-8(13-7-15)9-2-1-3-10-12-4-5-14(9)10;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);1-5,7-8H,(H,13,15);4H,1-3H3/t7-;;/m0../s1
InChIKeyZIZINFZAGDJXQZ-KLXURFKVSA-N
XLogP3.48
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167522618) is N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(NC=O)c1cccc2nccn12.
What is the InChIKey of N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is ZIZINFZAGDJXQZ-KLXURFKVSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C10H8N4O.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;11-6-8(13-7-15)9-2-1-3-10-12-4-5-14(9)10;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);1-5,7-8H,(H,13,15);4H,1-3H3/t7-;;/m0../s1.
What are the key properties of N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 524.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(imidazo[1,2-a]pyridin-5-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167522618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).