6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C35H49N7O4 — CID 158183498

IUPAC6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1
InChIInChI=1S/C18H26N4O2.C17H23N3O2/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyFYWKJRVIEMMAMG-UHFFFAOYSA-N
MW631.82 g/mol
LogP4.23
Rot. Bonds6

About 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158183498) has the molecular formula C35H49N7O4 and a molecular weight of 631.82 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158183498
Molecular FormulaC35H49N7O4
Molecular Weight631.82 g/mol
Exact Mass631.38
IUPAC Name6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1
InChIInChI=1S/C18H26N4O2.C17H23N3O2/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyFYWKJRVIEMMAMG-UHFFFAOYSA-N
XLogP4.23
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.82
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N,6-di(pyridin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 44125335
Morpholin-4-yl-[3-[6-(piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methanone
CID 44448942
N-(4-(4-(2,6-Di-tert-butylpyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117870408
N-(4-(4-(6-(tert-Butyl)-2-methylpyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117870714
N-(4-(4-(2-(tert-Butyl)-6-cyclopropylpyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117871054
N-(4-(4-(2-(tert-Butyl)quinazolin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 117871083
1-amino-N-(2-pyridin-3-ylethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168273184
4-[[5-(4-Morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-10-one
CID 68030152
N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 89928007
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-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605216
N-methyl-N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}tetrahydro-3-furanamine
CID 16189093

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 158183498) is 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1.
What is the InChIKey of 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FYWKJRVIEMMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C17H23N3O2/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 631.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158183498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).