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

C22H26F3N5O2 — CID 155176572

IUPACN-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNCc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H26F3N5O2/c1-4-26-11-14-10-19-27-15(8-9-21(2,3)32)12-30(19)13-17(14)29-20(31)16-6-5-7-18(28-16)22(23,24)25/h5-7,10,12-13,26,32H,4,8-9,11H2,1-3H3,(H,29,31)
InChIKeyYJZWOAVATBZXPJ-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.81
Rot. Bonds8

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

N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155176572) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155176572
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNCc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H26F3N5O2/c1-4-26-11-14-10-19-27-15(8-9-21(2,3)32)12-30(19)13-17(14)29-20(31)16-6-5-7-18(28-16)22(23,24)25/h5-7,10,12-13,26,32H,4,8-9,11H2,1-3H3,(H,29,31)
InChIKeyYJZWOAVATBZXPJ-UHFFFAOYSA-N
XLogP3.81
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155176572) is N-[7-(ethylaminomethyl)-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-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCNCc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YJZWOAVATBZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-4-26-11-14-10-19-27-15(8-9-21(2,3)32)12-30(19)13-17(14)29-20(31)16-6-5-7-18(28-16)22(23,24)25/h5-7,10,12-13,26,32H,4,8-9,11H2,1-3H3,(H,29,31).
What are the key properties of N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).