5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide

C31H41N7O3 — CID 156907580

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide
SMILESCOC1=NC(=O)C(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)C(C)=C1
InChIInChI=1S/C31H41N7O3/c1-19-16-28(41-7)34-31(40)25(19)18-32-30(39)24-17-27-23(26-8-12-33-36(26)6)11-15-38(27)29(20(24)2)21(3)37-13-9-22(10-14-37)35(4)5/h8,11-12,15-17,21-22,25H,9-10,13-14,18H2,1-7H3,(H,32,39)
InChIKeyQLJMQJIBVAPVCG-UHFFFAOYSA-N
MW559.72 g/mol
LogP3.61
Rot. Bonds7

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide (PubChem CID 156907580) has the molecular formula C31H41N7O3 and a molecular weight of 559.72 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide
PubChem CID156907580
Molecular FormulaC31H41N7O3
Molecular Weight559.72 g/mol
Exact Mass559.33
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide
SMILESCOC1=NC(=O)C(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)C(C)=C1
InChIInChI=1S/C31H41N7O3/c1-19-16-28(41-7)34-31(40)25(19)18-32-30(39)24-17-27-23(26-8-12-33-36(26)6)11-15-38(27)29(20(24)2)21(3)37-13-9-22(10-14-37)35(4)5/h8,11-12,15-17,21-22,25H,9-10,13-14,18H2,1-7H3,(H,32,39)
InChIKeyQLJMQJIBVAPVCG-UHFFFAOYSA-N
XLogP3.61
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)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-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide?
The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide (CID 156907580) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide.
What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide?
The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide is COC1=NC(=O)C(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)C(C)=C1.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide?
The InChIKey is QLJMQJIBVAPVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O3/c1-19-16-28(41-7)34-31(40)25(19)18-32-30(39)24-17-27-23(26-8-12-33-36(26)6)11-15-38(27)29(20(24)2)21(3)37-13-9-22(10-14-37)35(4)5/h8,11-12,15-17,21-22,25H,9-10,13-14,18H2,1-7H3,(H,32,39).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide has a molecular weight of 559.72 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 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-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).