4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C89H94N28O5 — CID 165097383

About 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165097383) has the molecular formula C89H94N28O5 and a molecular weight of 1635.92 g/mol. Its IUPAC name is 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165097383
• Molecular Formula: C89H94N28O5
• Molecular Weight: 1635.92 g/mol
• Exact Mass: 1634.80
• IUPAC Name: 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CN1CCN(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)OCO5)nc3)c3c(C#N)cnn3c2)CC1.CN1CCN(c2cc(-c3cnc(N4CC5CC(C4)N5Cc4cnc5c(c4)OCO5)cn3)c3c(C#N)cnn3c2)CC1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C30H31N9O2.C30H33N9O.C29H30N10O2/c1-35-4-6-36(7-5-35)23-10-26(29-22(11-31)14-34-39(29)18-23)21-2-3-28(32-13-21)37-16-24-9-25(17-37)38(24)15-20-8-27-30(33-12-20)41-19-40-27;1-35-7-9-36(10-8-35)24-12-27(30-23(13-31)16-34-39(30)20-24)22-4-5-28(32-15-22)37-18-25-11-26(19-37)38(25)17-21-3-6-29(40-2)33-14-21;1-35-2-4-36(5-3-35)21-8-24(28-20(9-30)11-34-39(28)17-21)25-12-32-27(13-31-25)37-15-22-7-23(16-37)38(22)14-19-6-26-29(33-10-19)41-18-40-26/h2-3,8,10,12-14,18,24-25H,4-7,9,15-17,19H2,1H3;3-6,12,14-16,20,25-26H,7-11,17-19H2,1-2H3;6,8,10-13,17,22-23H,2-5,7,14-16,18H2,1H3
• InChIKey: XSUVASNGJQARLG-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 298.53 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.92
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165097383) is 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCN(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)OCO5)nc3)c3c(C#N)cnn3c2)CC1.CN1CCN(c2cc(-c3cnc(N4CC5CC(C4)N5Cc4cnc5c(c4)OCO5)cn3)c3c(C#N)cnn3c2)CC1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XSUVASNGJQARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O2.C30H33N9O.C29H30N10O2/c1-35-4-6-36(7-5-35)23-10-26(29-22(11-31)14-34-39(29)18-23)21-2-3-28(32-13-21)37-16-24-9-25(17-37)38(24)15-20-8-27-30(33-12-20)41-19-40-27;1-35-7-9-36(10-8-35)24-12-27(30-23(13-31)16-34-39(30)20-24)22-4-5-28(32-15-22)37-18-25-11-26(19-37)38(25)17-21-3-6-29(40-2)33-14-21;1-35-2-4-36(5-3-35)21-8-24(28-20(9-30)11-34-39(28)17-21)25-12-32-27(13-31-25)37-15-22-7-23(16-37)38(22)14-19-6-26-29(33-10-19)41-18-40-26/h2-3,8,10,12-14,18,24-25H,4-7,9,15-17,19H2,1H3;3-6,12,14-16,20,25-26H,7-11,17-19H2,1-2H3;6,8,10-13,17,22-23H,2-5,7,14-16,18H2,1H3.

What are the key properties of 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1635.92 g/mol, XLogP of 7.49, 16 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-([1,3]dioxolo[4,5-b]pyridin-6-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165097383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).