2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

C88H80F7N17O4 — CID 163822502

About 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 163822502) has the molecular formula C88H80F7N17O4 and a molecular weight of 1572.71 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
• PubChem CID: 163822502
• Molecular Formula: C88H80F7N17O4
• Molecular Weight: 1572.71 g/mol
• Exact Mass: 1571.65
• IUPAC Name: 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
• SMILES: CC1CN(Cc2cc3c(cn2)CN(C(=O)Cc2nc(-c4ccc(F)cc4F)ccc2N)C3)C1.Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccccc3F)ccc1N)C2.Cc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2
• InChI: InChI=1S/C25H25F2N5O.2C21H18F2N4O.C21H19FN4O/c1-15-10-31(11-15)14-19-6-16-12-32(13-17(16)9-29-19)25(33)8-24-22(28)4-5-23(30-24)20-3-2-18(26)7-21(20)27;1-12-6-13-10-27(11-14(13)9-25-12)21(28)8-20-18(24)4-5-19(26-20)16-3-2-15(22)7-17(16)23;1-12-2-3-13-10-27(11-20(13)25-12)21(28)9-19-17(24)6-7-18(26-19)15-5-4-14(22)8-16(15)23;1-13-8-14-11-26(12-15(14)10-24-13)21(27)9-20-18(23)6-7-19(25-20)16-4-2-3-5-17(16)22/h2-7,9,15H,8,10-14,28H2,1H3;2-7,9H,8,10-11,24H2,1H3;2-8H,9-11,24H2,1H3;2-8,10H,9,11-12,23H2,1H3
• InChIKey: NWPQTXOXYRUXJX-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 291.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.71
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 163822502) is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

What is the SMILES notation for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The canonical SMILES for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is CC1CN(Cc2cc3c(cn2)CN(C(=O)Cc2nc(-c4ccc(F)cc4F)ccc2N)C3)C1.Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccccc3F)ccc1N)C2.Cc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.

What is the InChIKey of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The InChIKey is NWPQTXOXYRUXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.2C21H18F2N4O.C21H19FN4O/c1-15-10-31(11-15)14-19-6-16-12-32(13-17(16)9-29-19)25(33)8-24-22(28)4-5-23(30-24)20-3-2-18(26)7-21(20)27;1-12-6-13-10-27(11-14(13)9-25-12)21(28)8-20-18(24)4-5-19(26-20)16-3-2-15(22)7-17(16)23;1-12-2-3-13-10-27(11-20(13)25-12)21(28)9-19-17(24)6-7-18(26-19)15-5-4-14(22)8-16(15)23;1-13-8-14-11-26(12-15(14)10-24-13)21(27)9-20-18(23)6-7-19(25-20)16-4-2-3-5-17(16)22/h2-7,9,15H,8,10-14,28H2,1H3;2-7,9H,8,10-11,24H2,1H3;2-8H,9-11,24H2,1H3;2-8,10H,9,11-12,23H2,1H3.

What are the key properties of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 1572.71 g/mol, XLogP of 13.59, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[6-[(3-methylazetidin-1-yl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 163822502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).