6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C44H40FN9O3 — CID 137389389

IUPAC6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCC(c5cc(-c6nc(C#N)ccc6-c6cnc(CC(O)C(C)C)o6)cc6nc(C)cn56)C4)o3)cc2n1
InChIInChI=1S/C44H40FN9O3/c1-25(2)35(55)17-40-48-21-37(56-40)33-8-7-31(20-46)52-43(33)30-14-34(54-24-27(4)51-39(54)16-30)29-9-11-44(45,18-29)19-41-49-22-36(57-41)32-6-5-12-47-42(32)28-10-13-53-23-26(3)50-38(53)15-28/h5-8,10,12-16,21-25,29,35,55H,9,11,17-19H2,1-4H3
InChIKeyMWFZOCPZEMAMMC-UHFFFAOYSA-N
MW761.86 g/mol
LogP8.68
Rot. Bonds10

About 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137389389) has the molecular formula C44H40FN9O3 and a molecular weight of 761.86 g/mol. Its IUPAC name is 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
PubChem CID137389389
Molecular FormulaC44H40FN9O3
Molecular Weight761.86 g/mol
Exact Mass761.32
IUPAC Name6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCC(c5cc(-c6nc(C#N)ccc6-c6cnc(CC(O)C(C)C)o6)cc6nc(C)cn56)C4)o3)cc2n1
InChIInChI=1S/C44H40FN9O3/c1-25(2)35(55)17-40-48-21-37(56-40)33-8-7-31(20-46)52-43(33)30-14-34(54-24-27(4)51-39(54)16-30)29-9-11-44(45,18-29)19-41-49-22-36(57-41)32-6-5-12-47-42(32)28-10-13-53-23-26(3)50-38(53)15-28/h5-8,10,12-16,21-25,29,35,55H,9,11,17-19H2,1-4H3
InChIKeyMWFZOCPZEMAMMC-UHFFFAOYSA-N
XLogP8.68
TPSA156.46 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.86
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137389389) is 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is Cc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCC(c5cc(-c6nc(C#N)ccc6-c6cnc(CC(O)C(C)C)o6)cc6nc(C)cn56)C4)o3)cc2n1.
What is the InChIKey of 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is MWFZOCPZEMAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40FN9O3/c1-25(2)35(55)17-40-48-21-37(56-40)33-8-7-31(20-46)52-43(33)30-14-34(54-24-27(4)51-39(54)16-30)29-9-11-44(45,18-29)19-41-49-22-36(57-41)32-6-5-12-47-42(32)28-10-13-53-23-26(3)50-38(53)15-28/h5-8,10,12-16,21-25,29,35,55H,9,11,17-19H2,1-4H3.
What are the key properties of 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 761.86 g/mol, XLogP of 8.68, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-fluoro-3-[[5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]cyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[2-(2-hydroxy-3-methylbutyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).