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

C36H47N5O5 — CID 138733723

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
SMILESCOc1cc(-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/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/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43)
InChIKeyPQNHUEFQYCFPCV-UHFFFAOYSA-N
MW629.80 g/mol
LogP5.26
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

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 (PubChem CID 138733723) has the molecular formula C36H47N5O5 and a molecular weight of 629.80 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.

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
PubChem CID138733723
Molecular FormulaC36H47N5O5
Molecular Weight629.80 g/mol
Exact Mass629.36
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
SMILESCOc1cc(-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/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/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43)
InChIKeyPQNHUEFQYCFPCV-UHFFFAOYSA-N
XLogP5.26
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.80
LogP ≤ 55.26
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 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?
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 (CID 138733723) 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.
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?
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 is 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?
The InChIKey is PQNHUEFQYCFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N5O5/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/h14-18,20,24,27H,10-13,19H2,1-9H3,(H,37,42)(H,38,43).
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?
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 has a molecular weight of 629.80 g/mol, XLogP of 5.26, 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 is sourced from PubChem (CID 138733723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).