7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C76H75FN20O7 — CID 157412995

About 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 157412995) has the molecular formula C76H75FN20O7 and a molecular weight of 1399.57 g/mol. Its IUPAC name is 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 157412995
• Molecular Formula: C76H75FN20O7
• Molecular Weight: 1399.57 g/mol
• Exact Mass: 1398.61
• IUPAC Name: 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: COC[C@H]1CN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC[C@@H]1O.Cn1ccc2c(-c3ncc(Nc4ccc(N5CC[C@@](O)(F)[C@H](O)C5)cn4)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4cccc(C5CCC5)n4)c4c3CNC4=O)ccnc21
• InChI: InChI=1S/C27H29N7O3.C25H24FN7O3.C24H22N6O/c1-33-9-6-19-18(5-8-28-26(19)33)25-20-12-31-27(36)24(20)21(13-30-25)32-23-4-3-17(11-29-23)34-10-7-22(35)16(14-34)15-37-2;1-32-8-5-16-15(4-7-27-23(16)32)22-17-11-30-24(35)21(17)18(12-29-22)31-20-3-2-14(10-28-20)33-9-6-25(26,36)19(34)13-33;1-30-11-9-16-15(8-10-25-23(16)30)22-17-12-27-24(31)21(17)19(13-26-22)29-20-7-3-6-18(28-20)14-4-2-5-14/h3-6,8-9,11,13,16,22,35H,7,10,12,14-15H2,1-2H3,(H,29,32)(H,31,36);2-5,7-8,10,12,19,34,36H,6,9,11,13H2,1H3,(H,28,31)(H,30,35);3,6-11,13-14H,2,4-5,12H2,1H3,(H,27,31)(H,28,29)/t16-,22+;19-,25+;/m11./s1
• InChIKey: BOMWNSMBFTVAQB-JUVFDOMXSA-N
• XLogP: 9.38
• TPSA: 330.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1399.57
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 157412995) is 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is COC[C@H]1CN(c2ccc(Nc3cnc(-c4ccnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC[C@@H]1O.Cn1ccc2c(-c3ncc(Nc4ccc(N5CC[C@@](O)(F)[C@H](O)C5)cn4)c4c3CNC4=O)ccnc21.Cn1ccc2c(-c3ncc(Nc4cccc(C5CCC5)n4)c4c3CNC4=O)ccnc21.

What is the InChIKey of 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is BOMWNSMBFTVAQB-JUVFDOMXSA-N. The full InChI is InChI=1S/C27H29N7O3.C25H24FN7O3.C24H22N6O/c1-33-9-6-19-18(5-8-28-26(19)33)25-20-12-31-27(36)24(20)21(13-30-25)32-23-4-3-17(11-29-23)34-10-7-22(35)16(14-34)15-37-2;1-32-8-5-16-15(4-7-27-23(16)32)22-17-11-30-24(35)21(17)18(12-29-22)31-20-3-2-14(10-28-20)33-9-6-25(26,36)19(34)13-33;1-30-11-9-16-15(8-10-25-23(16)30)22-17-12-27-24(31)21(17)19(13-26-22)29-20-7-3-6-18(28-20)14-4-2-5-14/h3-6,8-9,11,13,16,22,35H,7,10,12,14-15H2,1-2H3,(H,29,32)(H,31,36);2-5,7-8,10,12,19,34,36H,6,9,11,13H2,1H3,(H,28,31)(H,30,35);3,6-11,13-14H,2,4-5,12H2,1H3,(H,27,31)(H,28,29)/t16-,22+;19-,25+;/m11./s1.

What are the key properties of 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1399.57 g/mol, XLogP of 9.38, 14 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-cyclobutyl-2-pyridinyl)amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4R)-4-fluoro-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3R,4S)-4-hydroxy-3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).