4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C60H59F2N15O — CID 155180964

IUPAC4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCN(Cc6cc(F)c(CN7CCN(c8ccc(-c9cc(C%10=CCN(C)CC%10)cn%10ncc(C#N)c9%10)cn8)CC7)c(F)c6)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C60H59F2N15O/c1-70-13-9-43(10-14-70)47-27-51(59-49(29-63)34-68-76(59)38-47)45-5-7-57(66-32-45)75-23-19-73(20-24-75)40-53-54(61)25-42(26-55(53)62)37-71-15-11-44(12-16-71)48-28-52(60-50(30-64)35-69-77(60)39-48)46-4-6-56(65-33-46)74-21-17-72(18-22-74)36-41-3-8-58(78-2)67-31-41/h3-9,11,25-28,31-35,38-39H,10,12-24,36-37,40H2,1-2H3
InChIKeyQKXDZBQCXNXEIC-UHFFFAOYSA-N
MW1044.23 g/mol
LogP8.18
Rot. Bonds13

About 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155180964) has the molecular formula C60H59F2N15O and a molecular weight of 1044.23 g/mol. Its IUPAC name is 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155180964
Molecular FormulaC60H59F2N15O
Molecular Weight1044.23 g/mol
Exact Mass1043.50
IUPAC Name4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCN(Cc6cc(F)c(CN7CCN(c8ccc(-c9cc(C%10=CCN(C)CC%10)cn%10ncc(C#N)c9%10)cn8)CC7)c(F)c6)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C60H59F2N15O/c1-70-13-9-43(10-14-70)47-27-51(59-49(29-63)34-68-76(59)38-47)45-5-7-57(66-32-45)75-23-19-73(20-24-75)40-53-54(61)25-42(26-55(53)62)37-71-15-11-44(12-16-71)48-28-52(60-50(30-64)35-69-77(60)39-48)46-4-6-56(65-33-46)74-21-17-72(18-22-74)36-41-3-8-58(78-2)67-31-41/h3-9,11,25-28,31-35,38-39H,10,12-24,36-37,40H2,1-2H3
InChIKeyQKXDZBQCXNXEIC-UHFFFAOYSA-N
XLogP8.18
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.23
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155180964) is 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCN(Cc6cc(F)c(CN7CCN(c8ccc(-c9cc(C%10=CCN(C)CC%10)cn%10ncc(C#N)c9%10)cn8)CC7)c(F)c6)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QKXDZBQCXNXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H59F2N15O/c1-70-13-9-43(10-14-70)47-27-51(59-49(29-63)34-68-76(59)38-47)45-5-7-57(66-32-45)75-23-19-73(20-24-75)40-53-54(61)25-42(26-55(53)62)37-71-15-11-44(12-16-71)48-28-52(60-50(30-64)35-69-77(60)39-48)46-4-6-56(65-33-46)74-21-17-72(18-22-74)36-41-3-8-58(78-2)67-31-41/h3-9,11,25-28,31-35,38-39H,10,12-24,36-37,40H2,1-2H3.
What are the key properties of 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1044.23 g/mol, XLogP of 8.18, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[4-[[4-[3-cyano-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,6-difluorophenyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155180964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).