6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C64H49F4N13O3 — CID 137388856

IUPAC6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCC(C)(Cc1ncc(-c2cc(F)cnc2-c2ccn3ccnc3c2)o1)Cc1cnc2cc(-c3nc(C#N)ccc3-c3cnc(CC(C)(Cc4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(CC7CCC7)o6)ccc45)C(F)(F)F)o3)ccn12
InChIInChI=1S/C64H49F4N13O3/c1-62(2,28-57-75-36-53(84-57)49-25-42(65)32-77-59(49)39-14-18-80-20-17-72-54(80)23-39)27-45-33-73-55-24-40(15-19-81(45)55)61-48(12-9-44(31-70)79-61)52-35-76-58(83-52)29-63(3,64(66,67)68)26-41-13-16-71-50-22-38(7-10-46(41)50)60-47(11-8-43(30-69)78-60)51-34-74-56(82-51)21-37-5-4-6-37/h7-20,22-25,32-37H,4-6,21,26-29H2,1-3H3
InChIKeyPYQNHWMQHJAGRO-UHFFFAOYSA-N
MW1124.18 g/mol
LogP14.07
Rot. Bonds16

About 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137388856) has the molecular formula C64H49F4N13O3 and a molecular weight of 1124.18 g/mol. Its IUPAC name is 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
PubChem CID137388856
Molecular FormulaC64H49F4N13O3
Molecular Weight1124.18 g/mol
Exact Mass1123.40
IUPAC Name6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCC(C)(Cc1ncc(-c2cc(F)cnc2-c2ccn3ccnc3c2)o1)Cc1cnc2cc(-c3nc(C#N)ccc3-c3cnc(CC(C)(Cc4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(CC7CCC7)o6)ccc45)C(F)(F)F)o3)ccn12
InChIInChI=1S/C64H49F4N13O3/c1-62(2,28-57-75-36-53(84-57)49-25-42(65)32-77-59(49)39-14-18-80-20-17-72-54(80)23-39)27-45-33-73-55-24-40(15-19-81(45)55)61-48(12-9-44(31-70)79-61)52-35-76-58(83-52)29-63(3,64(66,67)68)26-41-13-16-71-50-22-38(7-10-46(41)50)60-47(11-8-43(30-69)78-60)51-34-74-56(82-51)21-37-5-4-6-37/h7-20,22-25,32-37H,4-6,21,26-29H2,1-3H3
InChIKeyPYQNHWMQHJAGRO-UHFFFAOYSA-N
XLogP14.07
TPSA211.83 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.18
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137388856) is 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is CC(C)(Cc1ncc(-c2cc(F)cnc2-c2ccn3ccnc3c2)o1)Cc1cnc2cc(-c3nc(C#N)ccc3-c3cnc(CC(C)(Cc4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(CC7CCC7)o6)ccc45)C(F)(F)F)o3)ccn12.
What is the InChIKey of 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is PYQNHWMQHJAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49F4N13O3/c1-62(2,28-57-75-36-53(84-57)49-25-42(65)32-77-59(49)39-14-18-80-20-17-72-54(80)23-39)27-45-33-73-55-24-40(15-19-81(45)55)61-48(12-9-44(31-70)79-61)52-35-76-58(83-52)29-63(3,64(66,67)68)26-41-13-16-71-50-22-38(7-10-46(41)50)60-47(11-8-43(30-69)78-60)51-34-74-56(82-51)21-37-5-4-6-37/h7-20,22-25,32-37H,4-6,21,26-29H2,1-3H3.
What are the key properties of 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 1124.18 g/mol, XLogP of 14.07, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[5-[6-cyano-2-[3-[3-[5-(5-fluoro-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]imidazo[1,2-a]pyridin-7-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-3,3,3-trifluoro-2-methylpropyl]quinolin-7-yl]-5-[2-(cyclobutylmethyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137388856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).