6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C87H88N22O6S — CID 167625364

About 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167625364) has the molecular formula C87H88N22O6S and a molecular weight of 1569.88 g/mol. Its IUPAC name is 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167625364
• Molecular Formula: C87H88N22O6S
• Molecular Weight: 1569.88 g/mol
• Exact Mass: 1568.70
• IUPAC Name: 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#CC(C)(C)N)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(OC2CCN(c3ccc(-c4cc(C#CC(C)(C)N)cn5ncc(C#N)c45)cn3)CC2)cn1.[H]N=S1(=O)CCC(Oc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)CC1
• InChI: InChI=1S/C30H30N8O.C29H29N7O2.C28H29N7O3S/c1-30(2,32)9-8-20-10-26(29-23(12-31)15-35-38(29)17-20)22-5-6-27(33-14-22)36-18-24-11-25(19-36)37(24)16-21-4-7-28(39-3)34-13-21;1-29(2,31)11-8-20-14-25(28-22(15-30)17-34-36(28)19-20)21-4-6-26(32-16-21)35-12-9-23(10-13-35)38-24-5-7-27(37-3)33-18-24;29-16-21-18-33-35-19-24(37-23-8-13-39(30,36)14-9-23)15-25(28(21)35)20-4-5-26(32-17-20)34-11-6-22(7-12-34)38-27-3-1-2-10-31-27/h4-7,10,13-15,17,24-25H,11,16,18-19,32H2,1-3H3;4-7,14,16-19,23H,9-10,12-13,31H2,1-3H3;1-5,10,15,17-19,22-23,30H,6-9,11-14H2
• InChIKey: NAHPJTNOYXGILK-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 352.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.88
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167625364) is 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C#CC(C)(C)N)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(OC2CCN(c3ccc(-c4cc(C#CC(C)(C)N)cn5ncc(C#N)c45)cn3)CC2)cn1.[H]N=S1(=O)CCC(Oc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)CC1.

What is the InChIKey of 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NAHPJTNOYXGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O.C29H29N7O2.C28H29N7O3S/c1-30(2,32)9-8-20-10-26(29-23(12-31)15-35-38(29)17-20)22-5-6-27(33-14-22)36-18-24-11-25(19-36)37(24)16-21-4-7-28(39-3)34-13-21;1-29(2,31)11-8-20-14-25(28-22(15-30)17-34-36(28)19-20)21-4-6-26(32-16-21)35-12-9-23(10-13-35)38-24-5-7-27(37-3)33-18-24;29-16-21-18-33-35-19-24(37-23-8-13-39(30,36)14-9-23)15-25(28(21)35)20-4-5-26(32-17-20)34-11-6-22(7-12-34)38-27-3-1-2-10-31-27/h4-7,10,13-15,17,24-25H,11,16,18-19,32H2,1-3H3;4-7,14,16-19,23H,9-10,12-13,31H2,1-3H3;1-5,10,15,17-19,22-23,30H,6-9,11-14H2.

What are the key properties of 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1569.88 g/mol, XLogP of 11.33, 16 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-amino-3-methylbut-1-ynyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-amino-3-methylbut-1-ynyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-imino-1-oxothian-4-yl)oxy-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167625364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).