N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H17F3N4O3 — CID 154655080

IUPACN-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)16-3-1-2-13(24-16)18(28)23-12-8-15(27)17-25-14(10-26(17)9-12)11-4-6-29-7-5-11/h1-3,8-11,27H,4-7H2,(H,23,28)
InChIKeySXUBUZZDOPVBDQ-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.60
Rot. Bonds3

About N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655080) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655080
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)16-3-1-2-13(24-16)18(28)23-12-8-15(27)17-25-14(10-26(17)9-12)11-4-6-29-7-5-11/h1-3,8-11,27H,4-7H2,(H,23,28)
InChIKeySXUBUZZDOPVBDQ-UHFFFAOYSA-N
XLogP3.60
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655525
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
8-methoxy-2-(oxan-4-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 155437450
ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186639
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468246
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
CID 154655177
N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468053
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175845324
N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155751824
methyl 2-[(3S)-oxolan-3-yl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377480
N-(3-chlorophenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 155437280
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655080) is N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SXUBUZZDOPVBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)16-3-1-2-13(24-16)18(28)23-12-8-15(27)17-25-14(10-26(17)9-12)11-4-6-29-7-5-11/h1-3,8-11,27H,4-7H2,(H,23,28).
What are the key properties of N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).