2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

C23H25F3N4O2 — CID 70862564

IUPAC2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC34CC5CC5C5(CC5C3)C4)cccc2n1)NCC(F)(F)F
InChIInChI=1S/C23H25F3N4O2/c24-23(25,26)12-27-19(31)5-15-9-30-17(2-1-3-18(30)29-15)20(32)28-11-21-6-13-4-16(13)22(10-21)8-14(22)7-21/h1-3,9,13-14,16H,4-8,10-12H2,(H,27,31)(H,28,32)
InChIKeyBSYYKFPTCFNKDQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862564) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862564
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC34CC5CC5C5(CC5C3)C4)cccc2n1)NCC(F)(F)F
InChIInChI=1S/C23H25F3N4O2/c24-23(25,26)12-27-19(31)5-15-9-30-17(2-1-3-18(30)29-15)20(32)28-11-21-6-13-4-16(13)22(10-21)8-14(22)7-21/h1-3,9,13-14,16H,4-8,10-12H2,(H,27,31)(H,28,32)
InChIKeyBSYYKFPTCFNKDQ-UHFFFAOYSA-N
XLogP3.11
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 70862564) is 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is O=C(Cc1cn2c(C(=O)NCC34CC5CC5C5(CC5C3)C4)cccc2n1)NCC(F)(F)F.
What is the InChIKey of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is BSYYKFPTCFNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c24-23(25,26)12-27-19(31)5-15-9-30-17(2-1-3-18(30)29-15)20(32)28-11-21-6-13-4-16(13)22(10-21)8-14(22)7-21/h1-3,9,13-14,16H,4-8,10-12H2,(H,27,31)(H,28,32).
What are the key properties of 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-N-(6-tetracyclo[4.3.1.01,8.02,4]decanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).