N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C19H26F3N3O3 — CID 154852743

IUPACN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCOC1CC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2
InChIInChI=1S/C19H26F3N3O3/c1-2-28-14-11-13(18(14)6-9-27-10-7-18)23-16(26)15-12-5-3-4-8-25(12)17(24-15)19(20,21)22/h13-14H,2-11H2,1H3,(H,23,26)
InChIKeySDRWBSOLNQHGGT-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.94
Rot. Bonds4

About N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154852743) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154852743
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC NameN-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCOC1CC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2
InChIInChI=1S/C19H26F3N3O3/c1-2-28-14-11-13(18(14)6-9-27-10-7-18)23-16(26)15-12-5-3-4-8-25(12)17(24-15)19(20,21)22/h13-14H,2-11H2,1H3,(H,23,26)
InChIKeySDRWBSOLNQHGGT-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 146108758
N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154843056
[3-Tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 154847875
N-(7-carbamoylspiro[3.5]nonan-2-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154847892
N-(2-propan-2-ylcyclopentyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852741
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852745
[4-(4,5-Dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 154855156
N-(3,3-dimethylbutan-2-yl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 72109870
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 58054200
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 76680406

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154852743) is N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCOC1CC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)C12CCOCC2.
What is the InChIKey of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SDRWBSOLNQHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-2-28-14-11-13(18(14)6-9-27-10-7-18)23-16(26)15-12-5-3-4-8-25(12)17(24-15)19(20,21)22/h13-14H,2-11H2,1H3,(H,23,26).
What are the key properties of N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154852743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).