6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C93H88F3N23O3 — CID 165009116

About 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165009116) has the molecular formula C93H88F3N23O3 and a molecular weight of 1632.88 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165009116
• Molecular Formula: C93H88F3N23O3
• Molecular Weight: 1632.88 g/mol
• Exact Mass: 1631.74
• IUPAC Name: 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)NCC5)cn5ncc(C#N)c45)cn2)C3)cn1.Cn1ccc2cc(CN3C4CC3CN(c3ccc(-c5cc(C6=CCOCC6)cn6ncc(C#N)c56)cn3)C4)cnc21.N#Cc1cnn2cc(C3=CCOCC3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12
• InChI: InChI=1S/C32H30N8O.C31H32N8O.C30H26F3N7O/c1-37-7-4-23-10-21(14-35-32(23)37)17-39-27-12-28(39)20-38(19-27)30-3-2-24(15-34-30)29-11-25(22-5-8-41-9-6-22)18-40-31(29)26(13-33)16-36-40;1-20-9-22(7-8-33-20)24-10-28(31-25(12-32)15-36-39(31)17-24)23-4-5-29(34-14-23)37-18-26-11-27(19-37)38(26)16-21-3-6-30(40-2)35-13-21;31-30(32,33)27-3-1-19(12-35-27)15-39-24-10-25(39)18-38(17-24)28-4-2-21(13-36-28)26-9-22(20-5-7-41-8-6-20)16-40-29(26)23(11-34)14-37-40/h2-5,7,10-11,14-16,18,27-28H,6,8-9,12,17,19-20H2,1H3;3-6,9-10,13-15,17,20,26-27,33H,7-8,11,16,18-19H2,1-2H3;1-5,9,12-14,16,24-25H,6-8,10,15,17-18H2
• InChIKey: JKQKLNFVRVQQGW-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 264.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.88
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165009116) is 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CC(C)NCC5)cn5ncc(C#N)c45)cn2)C3)cn1.Cn1ccc2cc(CN3C4CC3CN(c3ccc(-c5cc(C6=CCOCC6)cn6ncc(C#N)c56)cn3)C4)cnc21.N#Cc1cnn2cc(C3=CCOCC3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.

What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JKQKLNFVRVQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O.C31H32N8O.C30H26F3N7O/c1-37-7-4-23-10-21(14-35-32(23)37)17-39-27-12-28(39)20-38(19-27)30-3-2-24(15-34-30)29-11-25(22-5-8-41-9-6-22)18-40-31(29)26(13-33)16-36-40;1-20-9-22(7-8-33-20)24-10-28(31-25(12-32)15-36-39(31)17-24)23-4-5-29(34-14-23)37-18-26-11-27(19-37)38(26)16-21-3-6-30(40-2)35-13-21;31-30(32,33)27-3-1-19(12-35-27)15-39-24-10-25(39)18-38(17-24)28-4-2-21(13-36-28)26-9-22(20-5-7-41-8-6-20)16-40-29(26)23(11-34)14-37-40/h2-5,7,10-11,14-16,18,27-28H,6,8-9,12,17,19-20H2,1H3;3-6,9-10,13-15,17,20,26-27,33H,7-8,11,16,18-19H2,1-2H3;1-5,9,12-14,16,24-25H,6-8,10,15,17-18H2.

What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1632.88 g/mol, XLogP of 13.27, 16 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165009116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).