N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C19H15ClF6N4O2 — CID 162763693

IUPACN-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESNC(CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
InChIInChI=1S/C19H15ClF6N4O2/c20-10-5-12(11-3-1-2-4-14(11)32-9-18(21,22)23)16-29-13(8-30(16)7-10)17(31)28-6-15(27)19(24,25)26/h1-5,7-8,15H,6,9,27H2,(H,28,31)
InChIKeyBRBSRDQKXDHLMK-UHFFFAOYSA-N
MW480.80 g/mol
LogP4.22
Rot. Bonds6

About N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763693) has the molecular formula C19H15ClF6N4O2 and a molecular weight of 480.80 g/mol. Its IUPAC name is N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763693
Molecular FormulaC19H15ClF6N4O2
Molecular Weight480.80 g/mol
Exact Mass480.08
IUPAC NameN-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESNC(CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
InChIInChI=1S/C19H15ClF6N4O2/c20-10-5-12(11-3-1-2-4-14(11)32-9-18(21,22)23)16-29-13(8-30(16)7-10)17(31)28-6-15(27)19(24,25)26/h1-5,7-8,15H,6,9,27H2,(H,28,31)
InChIKeyBRBSRDQKXDHLMK-UHFFFAOYSA-N
XLogP4.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(18F)Pbr 111
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763693) is N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is NC(CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F.
What is the InChIKey of N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BRBSRDQKXDHLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF6N4O2/c20-10-5-12(11-3-1-2-4-14(11)32-9-18(21,22)23)16-29-13(8-30(16)7-10)17(31)28-6-15(27)19(24,25)26/h1-5,7-8,15H,6,9,27H2,(H,28,31).
What are the key properties of N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 480.80 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3,3,3-trifluoropropyl)-6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).