ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol

C44H55N5O4 — CID 144980080

IUPACethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol
SMILESCC.CC(O)c1cc2ccccn2c1-c1ccc(OCCN2CCOCC2)cn1.CC(O)c1cc2ccccn2c1-c1cccc(C2CCCN2C)c1
InChIInChI=1S/C21H25N3O3.C21H24N2O.C2H6/c1-16(25)19-14-17-4-2-3-7-24(17)21(19)20-6-5-18(15-22-20)27-13-10-23-8-11-26-12-9-23;1-15(24)19-14-18-9-3-4-12-23(18)21(19)17-8-5-7-16(13-17)20-10-6-11-22(20)2;1-2/h2-7,14-16,25H,8-13H2,1H3;3-5,7-9,12-15,20,24H,6,10-11H2,1-2H3;1-2H3
InChIKeyKIQHHQLBFXGNJH-UHFFFAOYSA-N
MW717.96 g/mol
LogP8.22
Rot. Bonds9

About ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol

ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol (PubChem CID 144980080) has the molecular formula C44H55N5O4 and a molecular weight of 717.96 g/mol. Its IUPAC name is ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol
PubChem CID144980080
Molecular FormulaC44H55N5O4
Molecular Weight717.96 g/mol
Exact Mass717.43
IUPAC Nameethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol
SMILESCC.CC(O)c1cc2ccccn2c1-c1ccc(OCCN2CCOCC2)cn1.CC(O)c1cc2ccccn2c1-c1cccc(C2CCCN2C)c1
InChIInChI=1S/C21H25N3O3.C21H24N2O.C2H6/c1-16(25)19-14-17-4-2-3-7-24(17)21(19)20-6-5-18(15-22-20)27-13-10-23-8-11-26-12-9-23;1-15(24)19-14-18-9-3-4-12-23(18)21(19)17-8-5-7-16(13-17)20-10-6-11-22(20)2;1-2/h2-7,14-16,25H,8-13H2,1H3;3-5,7-9,12-15,20,24H,6,10-11H2,1-2H3;1-2H3
InChIKeyKIQHHQLBFXGNJH-UHFFFAOYSA-N
XLogP8.22
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol with MolForge

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Related Compounds

9-N-ethyl-8-ethoxy-manzamine A
CID 23643537
9-N-isobutyl-8-isobutyloxy-manzamine A
CID 23643640
2-[3-[[7-[2-(Cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-10-yl]methyl]-9-methoxy-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol
CID 123923848
1-[2-[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6-[6-[6-(morpholin-4-ylmethyl)pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol
CID 176238598
1-[6-[6-[6-[[Methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-2-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]ethanol
CID 178171421
1-[2-[1-(2,2-Difluoropropyl)-3-methylpyrazol-4-yl]-6-[6-[6-[[methyl(propyl)amino]methyl]pyridazin-3-yl]oxypyrazolo[1,5-a]pyridin-3-yl]-3-pyridinyl]ethanol
CID 178171425
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731915
DFe,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731919
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-nitrophenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731927
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731936
LFe,HHT-tris{(S)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731938
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731941

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol?
The IUPAC name of ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol (CID 144980080) is ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol.
What is the SMILES notation for ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol?
The canonical SMILES for ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol is CC.CC(O)c1cc2ccccn2c1-c1ccc(OCCN2CCOCC2)cn1.CC(O)c1cc2ccccn2c1-c1cccc(C2CCCN2C)c1.
What is the InChIKey of ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol?
The InChIKey is KIQHHQLBFXGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.C21H24N2O.C2H6/c1-16(25)19-14-17-4-2-3-7-24(17)21(19)20-6-5-18(15-22-20)27-13-10-23-8-11-26-12-9-23;1-15(24)19-14-18-9-3-4-12-23(18)21(19)17-8-5-7-16(13-17)20-10-6-11-22(20)2;1-2/h2-7,14-16,25H,8-13H2,1H3;3-5,7-9,12-15,20,24H,6,10-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol?
ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol has a molecular weight of 717.96 g/mol, XLogP of 8.22, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethanol;1-[3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizin-2-yl]ethanol is sourced from PubChem (CID 144980080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).