ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen

C44H56FN7O7 — CID 154656015

IUPACethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen
SMILESCC.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(OC)c1F.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccccn1.[H][H].[H][H]
InChIInChI=1S/C22H24FN3O4.C20H22N4O3.C2H6.2H2/c1-3-30-19-11-20-24-16(14-7-9-29-10-8-14)12-26(20)13-17(19)25-22(27)15-5-4-6-18(28-2)21(15)23;1-2-27-18-11-19-22-16(14-6-9-26-10-7-14)12-24(19)13-17(18)23-20(25)15-5-3-4-8-21-15;1-2;;/h4-6,11-14H,3,7-10H2,1-2H3,(H,25,27);3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,23,25);1-2H3;2*1H
InChIKeyABNIUNWHKQFAEY-UHFFFAOYSA-N
MW813.97 g/mol
LogP8.82
Rot. Bonds11

About ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen

ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen (PubChem CID 154656015) has the molecular formula C44H56FN7O7 and a molecular weight of 813.97 g/mol. Its IUPAC name is ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen
PubChem CID154656015
Molecular FormulaC44H56FN7O7
Molecular Weight813.97 g/mol
Exact Mass813.42
IUPAC Nameethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen
SMILESCC.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(OC)c1F.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccccn1.[H][H].[H][H]
InChIInChI=1S/C22H24FN3O4.C20H22N4O3.C2H6.2H2/c1-3-30-19-11-20-24-16(14-7-9-29-10-8-14)12-26(20)13-17(19)25-22(27)15-5-4-6-18(28-2)21(15)23;1-2-27-18-11-19-22-16(14-6-9-26-10-7-14)12-24(19)13-17(18)23-20(25)15-5-3-4-8-21-15;1-2;;/h4-6,11-14H,3,7-10H2,1-2H3,(H,25,27);3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,23,25);1-2H3;2*1H
InChIKeyABNIUNWHKQFAEY-UHFFFAOYSA-N
XLogP8.82
TPSA151.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500813.97
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-[4-[[5-fluoro-2-[3-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190464
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
4-(8-amino-3-((7R,9aS)-2-isonicotinoyl-4-oxooctahydro-1H-pyrido[1,2-a]pyrazin-7-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107252
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-morpholinopiperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571814
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(pyrrolidin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571815
(R)-N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl)-2-methoxyphenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571816
3-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-phenylbenzamide
CID 52942278
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304

Frequently Asked Questions

What is the IUPAC name of ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen (CID 154656015) is ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen is CC.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(OC)c1F.CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccccn1.[H][H].[H][H].
What is the InChIKey of ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is ABNIUNWHKQFAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4.C20H22N4O3.C2H6.2H2/c1-3-30-19-11-20-24-16(14-7-9-29-10-8-14)12-26(20)13-17(19)25-22(27)15-5-4-6-18(28-2)21(15)23;1-2-27-18-11-19-22-16(14-6-9-26-10-7-14)12-24(19)13-17(18)23-20(25)15-5-3-4-8-21-15;1-2;;/h4-6,11-14H,3,7-10H2,1-2H3,(H,25,27);3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,23,25);1-2H3;2*1H.
What are the key properties of ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen?
ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 813.97 g/mol, XLogP of 8.82, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-fluoro-3-methoxybenzamide;N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 154656015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).