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

C22H25F3N4O3 — CID 146380457

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)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(C(C)(C)O)cc2n1
InChIInChI=1S/C22H25F3N4O3/c1-20(2,31)9-8-13-11-29-12-16(14(21(3,4)32)10-18(29)26-13)28-19(30)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,28,30)
InChIKeyCYKDMYYKZFFXMD-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.93
Rot. Bonds6

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

N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146380457) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146380457
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)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(C(C)(C)O)cc2n1
InChIInChI=1S/C22H25F3N4O3/c1-20(2,31)9-8-13-11-29-12-16(14(21(3,4)32)10-18(29)26-13)28-19(30)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,28,30)
InChIKeyCYKDMYYKZFFXMD-UHFFFAOYSA-N
XLogP3.93
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 146380457) is N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)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(C(C)(C)O)cc2n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CYKDMYYKZFFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-20(2,31)9-8-13-11-29-12-16(14(21(3,4)32)10-18(29)26-13)28-19(30)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146380457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).