tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

C100H125ClN18O14S3 — CID 158430471

About tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 158430471) has the molecular formula C100H125ClN18O14S3 and a molecular weight of 1934.87 g/mol. Its IUPAC name is tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• PubChem CID: 158430471
• Molecular Formula: C100H125ClN18O14S3
• Molecular Weight: 1934.87 g/mol
• Exact Mass: 1932.85
• IUPAC Name: tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nc5c(s4)CN(C(=O)OC(C)(C)C)CC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nc5c(s4)CNCC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1
• InChI: InChI=1S/C35H44N6O5S.C30H36N6O3S.C27H34N4O5S.C8H11ClN2O/c1-20-14-21(2)37-32(43)27(20)17-36-31(42)26-16-25-15-24(18-41(25)30(22(26)3)23(4)39-10-12-45-13-11-39)33-38-28-8-9-40(19-29(28)47-33)34(44)46-35(5,6)7;1-17-11-18(2)33-29(38)24(17)14-32-28(37)23-13-22-12-21(30-34-25-5-6-31-15-26(25)40-30)16-36(22)27(19(23)3)20(4)35-7-9-39-10-8-35;1-16-20(25(32)33)13-19-12-18(14-31(19)23(16)17(2)29-8-10-35-11-9-29)24-28-21-6-7-30(15-22(21)37-24)26(34)36-27(3,4)5;1-5-3-6(2)11-8(12)7(5)4-10-9/h14-16,18,23H,8-13,17,19H2,1-7H3,(H,36,42)(H,37,43);11-13,16,20,31H,5-10,14-15H2,1-4H3,(H,32,37)(H,33,38);12-14,17H,6-11,15H2,1-5H3,(H,32,33);3,10H,4H2,1-2H3,(H,11,12)
• InChIKey: HBPCDKDAAGIOCZ-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 366.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1934.87
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The IUPAC name of tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 158430471) is tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

What is the SMILES notation for tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The canonical SMILES for tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nc5c(s4)CN(C(=O)OC(C)(C)C)CC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nc5c(s4)CNCC5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.

What is the InChIKey of tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The InChIKey is HBPCDKDAAGIOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N6O5S.C30H36N6O3S.C27H34N4O5S.C8H11ClN2O/c1-20-14-21(2)37-32(43)27(20)17-36-31(42)26-16-25-15-24(18-41(25)30(22(26)3)23(4)39-10-12-45-13-11-39)33-38-28-8-9-40(19-29(28)47-33)34(44)46-35(5,6)7;1-17-11-18(2)33-29(38)24(17)14-32-28(37)23-13-22-12-21(30-34-25-5-6-31-15-26(25)40-30)16-36(22)27(19(23)3)20(4)35-7-9-39-10-8-35;1-16-20(25(32)33)13-19-12-18(14-31(19)23(16)17(2)29-8-10-35-11-9-29)24-28-21-6-7-30(15-22(21)37-24)26(34)36-27(3,4)5;1-5-3-6(2)11-8(12)7(5)4-10-9/h14-16,18,23H,8-13,17,19H2,1-7H3,(H,36,42)(H,37,43);11-13,16,20,31H,5-10,14-15H2,1-4H3,(H,32,37)(H,33,38);12-14,17H,6-11,15H2,1-5H3,(H,32,33);3,10H,4H2,1-2H3,(H,11,12).

What are the key properties of tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 1934.87 g/mol, XLogP of 14.93, 18 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 158430471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).