6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C92H89N23O6 — CID 155180980

About 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155180980) has the molecular formula C92H89N23O6 and a molecular weight of 1612.88 g/mol. Its IUPAC name is 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155180980
• Molecular Formula: C92H89N23O6
• Molecular Weight: 1612.88 g/mol
• Exact Mass: 1611.74
• IUPAC Name: 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(CCOc6ccc(CN7C8CC7CN(c7ccc(-c9cc(C%10=CC(C)(CCOc%11cnc(CN%12C%13CC%12CN(c%12cnc(-c%14cc(C%15=CCOCC%15)cn%15ncc(C#N)c%14%15)cn%12)C%13)cn%11)OCC%10)cn%10ncc(C#N)c9%10)cn7)C8)cn6)C5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C92H89N23O6/c1-91(30-61(14-20-120-91)66-24-78(88-68(32-93)39-104-113(88)49-66)63-6-8-82(98-37-63)107-52-72-27-73(53-107)110(72)46-58-4-10-85(116-3)101-35-58)16-22-118-86-11-5-59(36-102-86)47-111-74-28-75(111)55-108(54-74)83-9-7-64(38-99-83)79-25-67(50-114-89(79)69(33-94)40-105-114)62-15-21-121-92(2,31-62)17-23-119-87-45-96-71(42-103-87)51-112-76-29-77(112)57-109(56-76)84-44-97-81(43-100-84)80-26-65(60-12-18-117-19-13-60)48-115-90(80)70(34-95)41-106-115/h4-12,14,24-26,31,35-45,48-50,72-77H,13,15-23,27-30,46-47,51-57H2,1-3H3
• InChIKey: PGLJHQJDILPHSF-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 301.21 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.88
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155180980) is 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C5=CCOC(C)(CCOc6ccc(CN7C8CC7CN(c7ccc(-c9cc(C%10=CC(C)(CCOc%11cnc(CN%12C%13CC%12CN(c%12cnc(-c%14cc(C%15=CCOCC%15)cn%15ncc(C#N)c%14%15)cn%12)C%13)cn%11)OCC%10)cn%10ncc(C#N)c9%10)cn7)C8)cn6)C5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is PGLJHQJDILPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H89N23O6/c1-91(30-61(14-20-120-91)66-24-78(88-68(32-93)39-104-113(88)49-66)63-6-8-82(98-37-63)107-52-72-27-73(53-107)110(72)46-58-4-10-85(116-3)101-35-58)16-22-118-86-11-5-59(36-102-86)47-111-74-28-75(111)55-108(54-74)83-9-7-64(38-99-83)79-25-67(50-114-89(79)69(33-94)40-105-114)62-15-21-121-92(2,31-62)17-23-119-87-45-96-71(42-103-87)51-112-76-29-77(112)57-109(56-76)84-44-97-81(43-100-84)80-26-65(60-12-18-117-19-13-60)48-115-90(80)70(34-95)41-106-115/h4-12,14,24-26,31,35-45,48-50,72-77H,13,15-23,27-30,46-47,51-57H2,1-3H3.

What are the key properties of 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1612.88 g/mol, XLogP of 11.67, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[2-[5-[[3-[5-[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyrazin-2-yl]oxyethyl]-6-methyl-2,3-dihydropyran-4-yl]-4-[6-[6-[[6-[2-[4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-6-methyl-2,5-dihydropyran-6-yl]ethoxy]-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155180980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).