bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide

C93H95N23O9 — CID 161394441

About bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide

bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 161394441) has the molecular formula C93H95N23O9 and a molecular weight of 1678.93 g/mol. Its IUPAC name is bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 161394441
• Molecular Formula: C93H95N23O9
• Molecular Weight: 1678.93 g/mol
• Exact Mass: 1677.77
• IUPAC Name: bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CN1Cc2nc(NC(=O)C3CC3)cc(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.CN1Cc2nc3nc(C4CC4)[nH]c3c(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.CN1Cc2nc3nc(C4CC4)[nH]c3c(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.COc1c(Nc2cc(-c3ccccc3)nc3c2C(=O)N(C)C3)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C24H22N6O2.2C23H24N6O2.C23H25N5O3/c1-29-13-20-21(24(29)31)19(12-18(27-20)15-8-5-4-6-9-15)26-17-11-7-10-16(22(17)32-3)23-25-14-30(2)28-23;2*1-28-12-16-17(23(28)31)18(19-21(25-16)27-20(26-19)13-4-5-13)24-15-8-6-14(7-9-15)22(30)29-10-2-3-11-29;1-27-13-18-20(23(27)31)17(12-19(25-18)26-21(29)14-4-5-14)24-16-8-6-15(7-9-16)22(30)28-10-2-3-11-28/h4-12,14H,13H2,1-3H3,(H,26,27);2*6-9,13H,2-5,10-12H2,1H3,(H2,24,25,26,27);6-9,12,14H,2-5,10-11,13H2,1H3,(H2,24,25,26,29)
• InChIKey: VTKIUNQWZMMSMY-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 368.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.93
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 161394441) is bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide is CN1Cc2nc(NC(=O)C3CC3)cc(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.CN1Cc2nc3nc(C4CC4)[nH]c3c(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.CN1Cc2nc3nc(C4CC4)[nH]c3c(Nc3ccc(C(=O)N4CCCC4)cc3)c2C1=O.COc1c(Nc2cc(-c3ccccc3)nc3c2C(=O)N(C)C3)cccc1-c1ncn(C)n1.

What is the InChIKey of bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is VTKIUNQWZMMSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.2C23H24N6O2.C23H25N5O3/c1-29-13-20-21(24(29)31)19(12-18(27-20)15-8-5-4-6-9-15)26-17-11-7-10-16(22(17)32-3)23-25-14-30(2)28-23;2*1-28-12-16-17(23(28)31)18(19-21(25-16)27-20(26-19)13-4-5-13)24-15-8-6-14(7-9-15)22(30)29-10-2-3-11-29;1-27-13-18-20(23(27)31)17(12-19(25-18)26-21(29)14-4-5-14)24-16-8-6-15(7-9-16)22(30)28-10-2-3-11-28/h4-12,14H,13H2,1-3H3,(H,26,27);2*6-9,13H,2-5,10-12H2,1H3,(H2,24,25,26,27);6-9,12,14H,2-5,10-11,13H2,1H3,(H2,24,25,26,29).

What are the key properties of bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide?

bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1678.93 g/mol, XLogP of 13.68, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-cyclopropyl-11-methyl-8-[4-(pyrrolidine-1-carbonyl)anilino]-2,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-10-one);4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-methyl-2-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one;N-[6-methyl-5-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]-7H-pyrrolo[3,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161394441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).