2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate

C115H143BrN18O16 — CID 160715426

IUPAC2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(N4CCCC4)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(C(=O)N4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H36N4O4.C29H38BrN5O2.C29H37N5O5.C26H32N4O5/c1-19-14-20(2)33-31(37)28(19)17-32-30(36)27-16-25-15-24(23-6-8-26(38-5)9-7-23)18-35(25)29(21(27)3)22(4)34-10-12-39-13-11-34;1-18-13-19(2)32-29(37)26(18)16-31-28(36)25-15-24-14-22(30)17-35(24)27(20(25)3)21(4)33-11-7-23(8-12-33)34-9-5-6-10-34;1-18-13-19(2)31-28(36)25(18)16-30-27(35)24-15-23-14-22(29(37)33-7-11-39-12-8-33)17-34(23)26(20(24)3)21(4)32-5-9-38-10-6-32;1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h6-9,14-16,18,22H,10-13,17H2,1-5H3,(H,32,36)(H,33,37);13-15,17,21,23H,5-12,16H2,1-4H3,(H,31,36)(H,32,37);13-15,17,21H,5-12,16H2,1-4H3,(H,30,35)(H,31,36);10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyRSKCWEYZYQWUAI-UHFFFAOYSA-N
MW2113.42 g/mol
LogP14.43
Rot. Bonds25

About 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate

2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (PubChem CID 160715426) has the molecular formula C115H143BrN18O16 and a molecular weight of 2113.42 g/mol. Its IUPAC name is 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Name2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
PubChem CID160715426
Molecular FormulaC115H143BrN18O16
Molecular Weight2113.42 g/mol
Exact Mass2111.01
IUPAC Name2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(N4CCCC4)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(C(=O)N4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H36N4O4.C29H38BrN5O2.C29H37N5O5.C26H32N4O5/c1-19-14-20(2)33-31(37)28(19)17-32-30(36)27-16-25-15-24(23-6-8-26(38-5)9-7-23)18-35(25)29(21(27)3)22(4)34-10-12-39-13-11-34;1-18-13-19(2)32-29(37)26(18)16-31-28(36)25-15-24-14-22(30)17-35(24)27(20(25)3)21(4)33-11-7-23(8-12-33)34-9-5-6-10-34;1-18-13-19(2)31-28(36)25(18)16-30-27(35)24-15-23-14-22(29(37)33-7-11-39-12-8-33)17-34(23)26(20(24)3)21(4)32-5-9-38-10-6-32;1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h6-9,14-16,18,22H,10-13,17H2,1-5H3,(H,32,36)(H,33,37);13-15,17,21,23H,5-12,16H2,1-4H3,(H,31,36)(H,32,37);13-15,17,21H,5-12,16H2,1-4H3,(H,30,35)(H,31,36);10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyRSKCWEYZYQWUAI-UHFFFAOYSA-N
XLogP14.43
TPSA374.44 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002113.42
LogP ≤ 514.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The IUPAC name of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (CID 160715426) is 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.
What is the SMILES notation for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The canonical SMILES for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is COC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.COc1ccc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCC(N4CCCC4)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(C(=O)N4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The InChIKey is RSKCWEYZYQWUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4.C29H38BrN5O2.C29H37N5O5.C26H32N4O5/c1-19-14-20(2)33-31(37)28(19)17-32-30(36)27-16-25-15-24(23-6-8-26(38-5)9-7-23)18-35(25)29(21(27)3)22(4)34-10-12-39-13-11-34;1-18-13-19(2)32-29(37)26(18)16-31-28(36)25-15-24-14-22(30)17-35(24)27(20(25)3)21(4)33-11-7-23(8-12-33)34-9-5-6-10-34;1-18-13-19(2)31-28(36)25(18)16-30-27(35)24-15-23-14-22(29(37)33-7-11-39-12-8-33)17-34(23)26(20(24)3)21(4)32-5-9-38-10-6-32;1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h6-9,14-16,18,22H,10-13,17H2,1-5H3,(H,32,36)(H,33,37);13-15,17,21,23H,5-12,16H2,1-4H3,(H,31,36)(H,32,37);13-15,17,21H,5-12,16H2,1-4H3,(H,30,35)(H,31,36);10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32).
What are the key properties of 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate has a molecular weight of 2113.42 g/mol, XLogP of 14.43, 25 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(morpholine-4-carbonyl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is sourced from PubChem (CID 160715426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).