2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C20H20F3N5O3 — CID 155167088

IUPAC2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cc2n1
InChIInChI=1S/C20H20F3N5O3/c1-19(2,31)7-6-11-9-28-10-14(12(17(24)29)8-16(28)25-11)27-18(30)13-4-3-5-15(26-13)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,27,30)
InChIKeyPBYBXBFXLCLMHV-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.80
Rot. Bonds6

About 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155167088) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155167088
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cc2n1
InChIInChI=1S/C20H20F3N5O3/c1-19(2,31)7-6-11-9-28-10-14(12(17(24)29)8-16(28)25-11)27-18(30)13-4-3-5-15(26-13)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,27,30)
InChIKeyPBYBXBFXLCLMHV-UHFFFAOYSA-N
XLogP2.80
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155167088) is 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cc2n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is PBYBXBFXLCLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-19(2,31)7-6-11-9-28-10-14(12(17(24)29)8-16(28)25-11)27-18(30)13-4-3-5-15(26-13)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,27,30).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155167088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).