ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide

C51H67N7O8 — CID 154655439

IUPACethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide
SMILESCC.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C2CCOC2)n1.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc2c1OCC2.[H][H].[H][H]
InChIInChI=1S/C25H30N4O4.C24H27N3O4.C2H6.2H2/c1-16(2)33-23-12-24-27-21(17-6-9-31-10-7-17)13-29(24)14-22(23)28-25(30)20-5-3-4-19(26-20)18-8-11-32-15-18;1-15(2)31-21-12-22-25-19(16-6-9-29-10-7-16)13-27(22)14-20(21)26-24(28)18-5-3-4-17-8-11-30-23(17)18;1-2;;/h3-5,12-14,16-18H,6-11,15H2,1-2H3,(H,28,30);3-5,12-16H,6-11H2,1-2H3,(H,26,28);1-2H3;2*1H
InChIKeyZDRIPTURYFZMST-UHFFFAOYSA-N
MW906.14 g/mol
LogP9.89
Rot. Bonds11

About ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide

ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide (PubChem CID 154655439) has the molecular formula C51H67N7O8 and a molecular weight of 906.14 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide
PubChem CID154655439
Molecular FormulaC51H67N7O8
Molecular Weight906.14 g/mol
Exact Mass905.51
IUPAC Nameethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide
SMILESCC.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C2CCOC2)n1.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc2c1OCC2.[H][H].[H][H]
InChIInChI=1S/C25H30N4O4.C24H27N3O4.C2H6.2H2/c1-16(2)33-23-12-24-27-21(17-6-9-31-10-7-17)13-29(24)14-22(23)28-25(30)20-5-3-4-19(26-20)18-8-11-32-15-18;1-15(2)31-21-12-22-25-19(16-6-9-29-10-7-16)13-27(22)14-20(21)26-24(28)18-5-3-4-17-8-11-30-23(17)18;1-2;;/h3-5,12-14,16-18H,6-11,15H2,1-2H3,(H,28,30);3-5,12-16H,6-11H2,1-2H3,(H,26,28);1-2H3;2*1H
InChIKeyZDRIPTURYFZMST-UHFFFAOYSA-N
XLogP9.89
TPSA161.07 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.14
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(2-((4-(4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea
CID 46830152
(Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(6-morpholinopyridin-3-yl)urea
CID 46884019
(Z)-1-(2-((1-methyl-4-(4-(morpholine-4-carbonyl)piperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea
CID 46884067
(Z)-1-(2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea
CID 46884068
(Z)-1-(2-((4-(4-(3-methoxypyrrolidine-1-carbonyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea
CID 46884072
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 91824142
7-cyclopentyl-2-((5-(4-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)piperazin-1-yl)pyridin-2-yl)amino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 139593562
4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-phenylmethoxybenzamide
CID 137634280
N-ethyl-5-[2-methyl-8-[(3-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156018731
n-(2,6-Difluorophenyl)-5-{3-[2-({2-(ethyloxy)-4-[4-(1-methylethyl)-1-piperazinyl]phenyl}-amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-2-(methyloxy)benzamide
CID 59452561
N-(2,6-difluorophenyl)-5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59452576
N-(2,6-difluorophenyl)-5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59452673

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide (CID 154655439) is ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide is CC.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C2CCOC2)n1.CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc2c1OCC2.[H][H].[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is ZDRIPTURYFZMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.C24H27N3O4.C2H6.2H2/c1-16(2)33-23-12-24-27-21(17-6-9-31-10-7-17)13-29(24)14-22(23)28-25(30)20-5-3-4-19(26-20)18-8-11-32-15-18;1-15(2)31-21-12-22-25-19(16-6-9-29-10-7-16)13-27(22)14-20(21)26-24(28)18-5-3-4-17-8-11-30-23(17)18;1-2;;/h3-5,12-14,16-18H,6-11,15H2,1-2H3,(H,28,30);3-5,12-16H,6-11H2,1-2H3,(H,26,28);1-2H3;2*1H.
What are the key properties of ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide?
ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 906.14 g/mol, XLogP of 9.89, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(oxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 154655439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).