N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H22F3N5O2 — CID 155176590

IUPACN-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CN)cc2n1
InChIInChI=1S/C20H22F3N5O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23/h3-5,8,10-11,30H,6-7,9,24H2,1-2H3,(H,27,29)
InChIKeyYKXZMMBLOYXKBE-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.16
Rot. Bonds6

About N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155176590) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155176590
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CN)cc2n1
InChIInChI=1S/C20H22F3N5O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23/h3-5,8,10-11,30H,6-7,9,24H2,1-2H3,(H,27,29)
InChIKeyYKXZMMBLOYXKBE-UHFFFAOYSA-N
XLogP3.16
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155176590) is N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CN)cc2n1.
What is the InChIKey of N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YKXZMMBLOYXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23/h3-5,8,10-11,30H,6-7,9,24H2,1-2H3,(H,27,29).
What are the key properties of N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155176590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).