2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C36H47N7O3 — CID 156907529

IUPAC2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cn(-c4ccc(CN(C)C)cc4)cn3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C36H47N7O3/c1-23-15-24(2)39-36(45)32(23)18-37-35(44)31-17-30-16-28(20-43(30)34(25(31)3)26(4)41-11-13-46-14-12-41)33-21-42(22-38-33)29-9-7-27(8-10-29)19-40(5)6/h7-10,16-17,20-24,26,32H,11-15,18-19H2,1-6H3,(H,37,44)(H,39,45)
InChIKeyKSBUQCWTRGEOIN-UHFFFAOYSA-N
MW625.82 g/mol
LogP4.45
Rot. Bonds9

About 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907529) has the molecular formula C36H47N7O3 and a molecular weight of 625.82 g/mol. Its IUPAC name is 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound Name2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID156907529
Molecular FormulaC36H47N7O3
Molecular Weight625.82 g/mol
Exact Mass625.37
IUPAC Name2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cn(-c4ccc(CN(C)C)cc4)cn3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C36H47N7O3/c1-23-15-24(2)39-36(45)32(23)18-37-35(44)31-17-30-16-28(20-43(30)34(25(31)3)26(4)41-11-13-46-14-12-41)33-21-42(22-38-33)29-9-7-27(8-10-29)19-40(5)6/h7-10,16-17,20-24,26,32H,11-15,18-19H2,1-6H3,(H,37,44)(H,39,45)
InChIKeyKSBUQCWTRGEOIN-UHFFFAOYSA-N
XLogP4.45
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.82
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907529) is 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cn(-c4ccc(CN(C)C)cc4)cn3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is KSBUQCWTRGEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N7O3/c1-23-15-24(2)39-36(45)32(23)18-37-35(44)31-17-30-16-28(20-43(30)34(25(31)3)26(4)41-11-13-46-14-12-41)33-21-42(22-38-33)29-9-7-27(8-10-29)19-40(5)6/h7-10,16-17,20-24,26,32H,11-15,18-19H2,1-6H3,(H,37,44)(H,39,45).
What are the key properties of 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 625.82 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(dimethylamino)methyl]phenyl]imidazol-4-yl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).