5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide

C117H142FN23O12 — CID 158471158

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide
SMILESCOc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H35FN4O4.C31H41N7O2.C28H34N6O3.C27H32N6O3/c1-18-12-19(2)34-31(38)27(18)16-33-30(37)25-14-23-13-22(26-15-24(39-5)6-7-28(26)32)17-36(23)29(20(25)3)21(4)35-8-10-40-11-9-35;1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-16-11-17(2)30-27(35)23(16)14-28-26(34)22-13-21-12-20(24-5-6-29-31-24)15-33(21)25(18(22)3)19(4)32-7-9-36-10-8-32/h6-7,12-15,17,21H,8-11,16H2,1-5H3,(H,33,37)(H,34,38);10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);5-6,11-13,15,19H,7-10,14H2,1-4H3,(H,28,34)(H,29,31)(H,30,35)
InChIKeyHGJCKLNGFOUSQN-UHFFFAOYSA-N
MW2081.57 g/mol
LogP15.20
Rot. Bonds26

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide (PubChem CID 158471158) has the molecular formula C117H142FN23O12 and a molecular weight of 2081.57 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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide
PubChem CID158471158
Molecular FormulaC117H142FN23O12
Molecular Weight2081.57 g/mol
Exact Mass2080.12
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide
SMILESCOc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C31H35FN4O4.C31H41N7O2.C28H34N6O3.C27H32N6O3/c1-18-12-19(2)34-31(38)27(18)16-33-30(37)25-14-23-13-22(26-15-24(39-5)6-7-28(26)32)17-36(23)29(20(25)3)21(4)35-8-10-40-11-9-35;1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-16-11-17(2)30-27(35)23(16)14-28-26(34)22-13-21-12-20(24-5-6-29-31-24)15-33(21)25(18(22)3)19(4)32-7-9-36-10-8-32/h6-7,12-15,17,21H,8-11,16H2,1-5H3,(H,33,37)(H,34,38);10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);5-6,11-13,15,19H,7-10,14H2,1-4H3,(H,28,34)(H,29,31)(H,30,35)
InChIKeyHGJCKLNGFOUSQN-UHFFFAOYSA-N
XLogP15.20
TPSA382.92 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.57
LogP ≤ 515.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide (CID 158471158) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide is COc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide?
The InChIKey is HGJCKLNGFOUSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O4.C31H41N7O2.C28H34N6O3.C27H32N6O3/c1-18-12-19(2)34-31(38)27(18)16-33-30(37)25-14-23-13-22(26-15-24(39-5)6-7-28(26)32)17-36(23)29(20(25)3)21(4)35-8-10-40-11-9-35;1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-16-11-17(2)30-27(35)23(16)14-28-26(34)22-13-21-12-20(24-5-6-29-31-24)15-33(21)25(18(22)3)19(4)32-7-9-36-10-8-32/h6-7,12-15,17,21H,8-11,16H2,1-5H3,(H,33,37)(H,34,38);10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);5-6,11-13,15,19H,7-10,14H2,1-4H3,(H,28,34)(H,29,31)(H,30,35).
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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide has a molecular weight of 2081.57 g/mol, XLogP of 15.20, 26 rotatable bonds, 9 hydrogen bond donors, and 26 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-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-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-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)indolizine-7-carboxamide is sourced from PubChem (CID 158471158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).