3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride

C109H143Cl2N21O14 — CID 160677601

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride (PubChem CID 160677601) has the molecular formula C109H143Cl2N21O14 and a molecular weight of 2042.38 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride
• PubChem CID: 160677601
• Molecular Formula: C109H143Cl2N21O14
• Molecular Weight: 2042.38 g/mol
• Exact Mass: 2040.05
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride
• SMILES: Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCNCC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cl.Cl
• InChI: InChI=1S/C38H49N7O5.C33H41N7O3.C30H39N5O5.C8H12N2O.2ClH/c1-24-18-25(2)41-36(47)32(24)22-40-35(46)31-20-30-19-29(23-45(30)34(26(31)3)27(4)42-14-16-49-17-15-42)28-8-9-33(39-21-28)43-10-12-44(13-11-43)37(48)50-38(5,6)7;1-21-15-22(2)37-33(42)29(21)19-36-32(41)28-17-27-16-26(25-5-6-30(35-18-25)39-9-7-34-8-10-39)20-40(27)31(23(28)3)24(4)38-11-13-43-14-12-38;1-20-25(28(36)37)17-24-16-23(19-35(24)27(20)21(2)32-12-14-39-15-13-32)22-6-7-26(31-18-22)33-8-10-34(11-9-33)29(38)40-30(3,4)5;1-5-3-6(2)10-8(11)7(5)4-9;;/h8-9,18-21,23,27H,10-17,22H2,1-7H3,(H,40,46)(H,41,47);5-6,15-18,20,24,34H,7-14,19H2,1-4H3,(H,36,41)(H,37,42);6-7,16-19,21H,8-15H2,1-5H3,(H,36,37);3H,4,9H2,1-2H3,(H,10,11);2*1H
• InChIKey: YDEVLYZKYWZBIX-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 390.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.38
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride (CID 160677601) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride is Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(N5CCNCC5)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cl.Cl.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride?

The InChIKey is YDEVLYZKYWZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N7O5.C33H41N7O3.C30H39N5O5.C8H12N2O.2ClH/c1-24-18-25(2)41-36(47)32(24)22-40-35(46)31-20-30-19-29(23-45(30)34(26(31)3)27(4)42-14-16-49-17-15-42)28-8-9-33(39-21-28)43-10-12-44(13-11-43)37(48)50-38(5,6)7;1-21-15-22(2)37-33(42)29(21)19-36-32(41)28-17-27-16-26(25-5-6-30(35-18-25)39-9-7-34-8-10-39)20-40(27)31(23(28)3)24(4)38-11-13-43-14-12-38;1-20-25(28(36)37)17-24-16-23(19-35(24)27(20)21(2)32-12-14-39-15-13-32)22-6-7-26(31-18-22)33-8-10-34(11-9-33)29(38)40-30(3,4)5;1-5-3-6(2)10-8(11)7(5)4-9;;/h8-9,18-21,23,27H,10-17,22H2,1-7H3,(H,40,46)(H,41,47);5-6,15-18,20,24,34H,7-14,19H2,1-4H3,(H,36,41)(H,37,42);6-7,16-19,21H,8-15H2,1-5H3,(H,36,37);3H,4,9H2,1-2H3,(H,10,11);2*1H.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride has a molecular weight of 2042.38 g/mol, XLogP of 14.10, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxamide;6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;dihydrochloride is sourced from PubChem (CID 160677601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).