N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

C14H16F3N3O3 — CID 141401818

IUPACN-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)CCC(O)C(F)(F)F)c1cnc2ccccn12
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)11(22)5-4-9(8-21)19-13(23)10-7-18-12-3-1-2-6-20(10)12/h1-3,6-7,9,11,21-22H,4-5,8H2,(H,19,23)
InChIKeyJCLWLFFGHTVVRK-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.13
Rot. Bonds6

About N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 141401818) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID141401818
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)CCC(O)C(F)(F)F)c1cnc2ccccn12
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)11(22)5-4-9(8-21)19-13(23)10-7-18-12-3-1-2-6-20(10)12/h1-3,6-7,9,11,21-22H,4-5,8H2,(H,19,23)
InChIKeyJCLWLFFGHTVVRK-UHFFFAOYSA-N
XLogP1.13
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117870976
1-amino-N-(2,2-difluoroethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168269225
1-amino-N-(2-hydroxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168280617
1-amino-N-(3-hydroxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168282640
(2,6-Dimethylmorpholin-4-yl)-imidazo[1,2-a]pyridin-2-ylmethanone
CID 2999750
N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17393643
(4-Cyclohexylpiperazino)-[3-[(3-hydroxypiperidino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 24818987
1-amino-N-(1-hydroxypropan-2-yl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168275025
N-butyl-3-{[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 23723201
N-cyclohexyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 681940
N-(3,4-difluorophenyl)-1-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-piperidinamine
CID 24790554
(5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 16092316

Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 141401818) is N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC(CO)CCC(O)C(F)(F)F)c1cnc2ccccn12.
What is the InChIKey of N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JCLWLFFGHTVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)11(22)5-4-9(8-21)19-13(23)10-7-18-12-3-1-2-6-20(10)12/h1-3,6-7,9,11,21-22H,4-5,8H2,(H,19,23).
What are the key properties of N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 141401818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).