5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane

C40H59N5O5 — CID 142300788

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane
SMILESCC.CC.COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C36H47N5O5.2C2H6/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;2*1-2/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);2*1-2H3
InChIKeyHBNGMVHJLGZSNT-UHFFFAOYSA-N
MW689.94 g/mol
LogP7.32
Rot. Bonds10

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane (PubChem CID 142300788) has the molecular formula C40H59N5O5 and a molecular weight of 689.94 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane.

Molecular Properties

Compound Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane
PubChem CID142300788
Molecular FormulaC40H59N5O5
Molecular Weight689.94 g/mol
Exact Mass689.45
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane
SMILESCC.CC.COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C36H47N5O5.2C2H6/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;2*1-2/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);2*1-2H3
InChIKeyHBNGMVHJLGZSNT-UHFFFAOYSA-N
XLogP7.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.94
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane?
The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane (CID 142300788) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane.
What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane?
The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane is CC.CC.COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane?
The InChIKey is HBNGMVHJLGZSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N5O5.2C2H6/c1-21-14-22(2)38-36(43)30(21)19-37-35(42)29-18-28-15-26(25-16-31(44-7)34(46-9)32(17-25)45-8)20-41(28)33(23(29)3)24(4)40-12-10-27(11-13-40)39(5)6;2*1-2/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43);2*1-2H3.
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane has a molecular weight of 689.94 g/mol, XLogP of 7.32, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide;ethane is sourced from PubChem (CID 142300788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).