tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide

C97H115IN30O15 — CID 160520301

About tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide

tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide (PubChem CID 160520301) has the molecular formula C97H115IN30O15 and a molecular weight of 2068.09 g/mol. Its IUPAC name is tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide
• PubChem CID: 160520301
• Molecular Formula: C97H115IN30O15
• Molecular Weight: 2068.09 g/mol
• Exact Mass: 2066.82
• IUPAC Name: tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide
• SMILES: CC(=O)N(C)c1nccc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)n1.CC(=O)N(C)c1nccc(-c2cc3c(n2C)CCNC3=O)n1.CC(=O)Nc1nccc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)n1.CNc1ncc(I)c(-c2cc3c(n2C)CCNC3=O)n1.CNc1nccc(-c2cc3c(n2C)CCNC3=O)n1.Cn1c(-c2ccnc(N)n2)cc2c1CCN(C(=O)OC(C)(C)C)C2=O
• InChI: InChI=1S/C20H25N5O4.C19H23N5O4.C17H21N5O3.C15H17N5O2.C13H14IN5O.C13H15N5O/c1-12(26)23(5)18-21-9-7-14(22-18)16-11-13-15(24(16)6)8-10-25(17(13)27)19(28)29-20(2,3)4;1-11(25)21-17-20-8-6-13(22-17)15-10-12-14(23(15)5)7-9-24(16(12)26)18(27)28-19(2,3)4;1-17(2,3)25-16(24)22-8-6-12-10(14(22)23)9-13(21(12)4)11-5-7-19-15(18)20-11;1-9(21)19(2)15-17-6-4-11(18-15)13-8-10-12(20(13)3)5-7-16-14(10)22;1-15-13-17-6-8(14)11(18-13)10-5-7-9(19(10)2)3-4-16-12(7)20;1-14-13-16-5-3-9(17-13)11-7-8-10(18(11)2)4-6-15-12(8)19/h7,9,11H,8,10H2,1-6H3;6,8,10H,7,9H2,1-5H3,(H,20,21,22,25);5,7,9H,6,8H2,1-4H3,(H2,18,19,20);4,6,8H,5,7H2,1-3H3,(H,16,22);5-6H,3-4H2,1-2H3,(H,16,20)(H,15,17,18);3,5,7H,4,6H2,1-2H3,(H,15,19)(H,14,16,17)
• InChIKey: QUEJWDZPCIQPHP-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 531.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.09
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?

The IUPAC name of tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide (CID 160520301) is tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide.

What is the SMILES notation for tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?

The canonical SMILES for tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide is CC(=O)N(C)c1nccc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)n1.CC(=O)N(C)c1nccc(-c2cc3c(n2C)CCNC3=O)n1.CC(=O)Nc1nccc(-c2cc3c(n2C)CCN(C(=O)OC(C)(C)C)C3=O)n1.CNc1ncc(I)c(-c2cc3c(n2C)CCNC3=O)n1.CNc1nccc(-c2cc3c(n2C)CCNC3=O)n1.Cn1c(-c2ccnc(N)n2)cc2c1CCN(C(=O)OC(C)(C)C)C2=O.

What is the InChIKey of tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?

The InChIKey is QUEJWDZPCIQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4.C19H23N5O4.C17H21N5O3.C15H17N5O2.C13H14IN5O.C13H15N5O/c1-12(26)23(5)18-21-9-7-14(22-18)16-11-13-15(24(16)6)8-10-25(17(13)27)19(28)29-20(2,3)4;1-11(25)21-17-20-8-6-13(22-17)15-10-12-14(23(15)5)7-9-24(16(12)26)18(27)28-19(2,3)4;1-17(2,3)25-16(24)22-8-6-12-10(14(22)23)9-13(21(12)4)11-5-7-19-15(18)20-11;1-9(21)19(2)15-17-6-4-11(18-15)13-8-10-12(20(13)3)5-7-16-14(10)22;1-15-13-17-6-8(14)11(18-13)10-5-7-9(19(10)2)3-4-16-12(7)20;1-14-13-16-5-3-9(17-13)11-7-8-10(18(11)2)4-6-15-12(8)19/h7,9,11H,8,10H2,1-6H3;6,8,10H,7,9H2,1-5H3,(H,20,21,22,25);5,7,9H,6,8H2,1-4H3,(H2,18,19,20);4,6,8H,5,7H2,1-3H3,(H,16,22);5-6H,3-4H2,1-2H3,(H,16,20)(H,15,17,18);3,5,7H,4,6H2,1-2H3,(H,15,19)(H,14,16,17).

What are the key properties of tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?

tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide has a molecular weight of 2068.09 g/mol, XLogP of 9.74, 11 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(2-acetamidopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-[2-[acetyl(methyl)amino]pyrimidin-4-yl]-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate;2-[5-iodo-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;N-methyl-N-[4-(1-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 160520301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).