2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

C62H57F4N15O3 — CID 157107053

About 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 157107053) has the molecular formula C62H57F4N15O3 and a molecular weight of 1136.23 g/mol. Its IUPAC name is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
• PubChem CID: 157107053
• Molecular Formula: C62H57F4N15O3
• Molecular Weight: 1136.23 g/mol
• Exact Mass: 1135.47
• IUPAC Name: 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
• SMILES: CCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(C(F)F)cc2C1.Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(CC(F)F)cc2C1
• InChI: InChI=1S/C21H19F2N5O.C21H21N5O.C20H17F2N5O/c22-20(23)7-16-6-14-11-28(12-15(14)10-26-16)21(29)8-19-17(24)3-4-18(27-19)13-2-1-5-25-9-13;1-2-17-8-15-12-26(13-16(15)11-24-17)21(27)9-20-18(22)5-6-19(25-20)14-4-3-7-23-10-14;21-20(22)18-6-13-10-27(11-14(13)9-25-18)19(28)7-17-15(23)3-4-16(26-17)12-2-1-5-24-8-12/h1-6,9-10,20H,7-8,11-12,24H2;3-8,10-11H,2,9,12-13,22H2,1H3;1-6,8-9,20H,7,10-11,23H2
• InChIKey: AGKMEQXIQYNZSG-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 255.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1136.23
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 157107053) is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

What is the SMILES notation for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The canonical SMILES for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is CCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(C(F)F)cc2C1.Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(CC(F)F)cc2C1.

What is the InChIKey of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

The InChIKey is AGKMEQXIQYNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O.C21H21N5O.C20H17F2N5O/c22-20(23)7-16-6-14-11-28(12-15(14)10-26-16)21(29)8-19-17(24)3-4-18(27-19)13-2-1-5-25-9-13;1-2-17-8-15-12-26(13-16(15)11-24-17)21(27)9-20-18(22)5-6-19(25-20)14-4-3-7-23-10-14;21-20(22)18-6-13-10-27(11-14(13)9-25-18)19(28)7-17-15(23)3-4-16(26-17)12-2-1-5-24-8-12/h1-6,9-10,20H,7-8,11-12,24H2;3-8,10-11H,2,9,12-13,22H2,1H3;1-6,8-9,20H,7,10-11,23H2.

What are the key properties of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 1136.23 g/mol, XLogP of 8.92, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 157107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).