2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane

C66H58F6N14O4 — CID 145146823

About 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane

2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane (PubChem CID 145146823) has the molecular formula C66H58F6N14O4 and a molecular weight of 1225.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane
• PubChem CID: 145146823
• Molecular Formula: C66H58F6N14O4
• Molecular Weight: 1225.27 g/mol
• Exact Mass: 1224.47
• IUPAC Name: 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane
• SMILES: CC.CC.CC1(C)COc2cc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4c(n3)NCC4)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4cc[nH]c4n3)c21
• InChI: InChI=1S/C22H18F2N4O2.C20H15F2N5O.C20H13F2N5O.2C2H6/c1-22(2)10-30-16-8-11(6-7-12(16)22)26-20-18-15(9-25-21(18)29)27-19(28-20)17-13(23)4-3-5-14(17)24;2*21-11-2-1-3-12(22)17(11)13-8-14(18-15(25-13)9-24-20(18)28)26-16-5-4-10-6-7-23-19(10)27-16;2*1-2/h3-8H,9-10H2,1-2H3,(H,25,29)(H,26,27,28);1-5,8H,6-7,9H2,(H,24,28)(H2,23,25,26,27);1-8H,9H2,(H,24,28)(H2,23,25,26,27);2*1-2H3
• InChIKey: LJXCCSNGGWCXAD-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 237.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1225.27
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane?

The IUPAC name of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane (CID 145146823) is 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane.

What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane?

The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane is CC.CC.CC1(C)COc2cc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4c(n3)NCC4)c21.O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4cc[nH]c4n3)c21.

What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane?

The InChIKey is LJXCCSNGGWCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2.C20H15F2N5O.C20H13F2N5O.2C2H6/c1-22(2)10-30-16-8-11(6-7-12(16)22)26-20-18-15(9-25-21(18)29)27-19(28-20)17-13(23)4-3-5-14(17)24;2*21-11-2-1-3-12(22)17(11)13-8-14(18-15(25-13)9-24-20(18)28)26-16-5-4-10-6-7-23-19(10)27-16;2*1-2/h3-8H,9-10H2,1-2H3,(H,25,29)(H,26,27,28);1-5,8H,6-7,9H2,(H,24,28)(H2,23,25,26,27);1-8H,9H2,(H,24,28)(H2,23,25,26,27);2*1-2H3.

What are the key properties of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane?

2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane has a molecular weight of 1225.27 g/mol, XLogP of 13.40, 9 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;ethane is sourced from PubChem (CID 145146823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).