N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C23H26F3N5O3 — CID 163831027

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCOCC3)cc2n1
InChIInChI=1S/C23H26F3N5O3/c1-22(2,33)7-6-15-13-31-14-17(18(12-20(31)27-15)30-8-10-34-11-9-30)29-21(32)16-4-3-5-19(28-16)23(24,25)26/h3-5,12-14,33H,6-11H2,1-2H3,(H,29,32)
InChIKeyODQLDGPNOUKIGY-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 163831027) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID163831027
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCOCC3)cc2n1
InChIInChI=1S/C23H26F3N5O3/c1-22(2,33)7-6-15-13-31-14-17(18(12-20(31)27-15)30-8-10-34-11-9-30)29-21(32)16-4-3-5-19(28-16)23(24,25)26/h3-5,12-14,33H,6-11H2,1-2H3,(H,29,32)
InChIKeyODQLDGPNOUKIGY-UHFFFAOYSA-N
XLogP3.54
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-3-[(3R,8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77107457
4-[3-[(2R)-4-acetylmorpholin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137633174
4-[8-amino-3-[(2R)-4-(oxan-4-yl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137636807
4-[8-amino-3-[(2R)-4-(2-methylpropanoyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137652514
N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 145965246
4-[8-amino-3-[(3R,6S)-6-methyl-1-(oxolane-2-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162652602
(R)-3-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-yl)ethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54581168
3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 58355573
4-[8-amino-3-[(2R)-4-(3-methoxypropanoyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71235464
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456083
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456396
N-[5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90461379

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 163831027) is N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[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(N3CCOCC3)cc2n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ODQLDGPNOUKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-22(2,33)7-6-15-13-31-14-17(18(12-20(31)27-15)30-8-10-34-11-9-30)29-21(32)16-4-3-5-19(28-16)23(24,25)26/h3-5,12-14,33H,6-11H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 163831027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).