1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane

About 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane

1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane (PubChem CID 142300877) has the molecular formula C37H50F3N7O3 and a molecular weight of 697.85 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane.

Molecular Properties

Compound Name	1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane
PubChem CID	142300877
Molecular Formula	C37H50F3N7O3
Molecular Weight	697.85 g/mol
Exact Mass	697.39
IUPAC Name	1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane
SMILES	C=C.CCC.Cc1cc(O)c(CNC(=O)c2cc3c(-c4ccnc(N(C)C)c4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
InChI	InChI=1S/C32H38F3N7O3.C3H8.C2H4/c1-19-14-27(43)25(31(45)38-19)17-37-30(44)24-16-26-23(22-6-8-36-28(15-22)39(4)5)7-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-3-2;1-2/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,44)(H2,38,43,45);3H2,1-2H3;1-2H2
InChIKey	BEENFHGIDXZYIO-UHFFFAOYSA-N
XLogP	6.47
TPSA	109.21 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.85
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane?

The IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane (CID 142300877) is 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane.

What is the SMILES notation for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane?

The canonical SMILES for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane is C=C.CCC.Cc1cc(O)c(CNC(=O)c2cc3c(-c4ccnc(N(C)C)c4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1.

What is the InChIKey of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane?

The InChIKey is BEENFHGIDXZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N7O3.C3H8.C2H4/c1-19-14-27(43)25(31(45)38-19)17-37-30(44)24-16-26-23(22-6-8-36-28(15-22)39(4)5)7-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-3-2;1-2/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,44)(H2,38,43,45);3H2,1-2H3;1-2H2.

What are the key properties of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane?

1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane has a molecular weight of 697.85 g/mol, XLogP of 6.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane is sourced from PubChem (CID 142300877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).