6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C45H33F2N9O2 — CID 137394195

IUPAC6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC4(F)CC4c4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(C[C@@H]7CC[C@H](F)C7)o6)ccc45)o3)cc2n1
InChIInChI=1S/C45H33F2N9O2/c1-25-24-56-13-11-28(17-40(56)53-25)44-35(9-6-31(21-49)55-44)39-23-52-42(58-39)19-45(47)18-36(45)32-10-12-50-37-16-27(3-7-33(32)37)43-34(8-5-30(20-48)54-43)38-22-51-41(57-38)15-26-2-4-29(46)14-26/h3,5-13,16-17,22-24,26,29,36H,2,4,14-15,18-19H2,1H3/t26-,29+,36?,45?/m1/s1
InChIKeyIZHVXKBSOFJJEW-MOEVHKTMSA-N
MW769.82 g/mol
LogP9.49
Rot. Bonds9

About 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137394195) has the molecular formula C45H33F2N9O2 and a molecular weight of 769.82 g/mol. Its IUPAC name is 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
PubChem CID137394195
Molecular FormulaC45H33F2N9O2
Molecular Weight769.82 g/mol
Exact Mass769.27
IUPAC Name6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC4(F)CC4c4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(C[C@@H]7CC[C@H](F)C7)o6)ccc45)o3)cc2n1
InChIInChI=1S/C45H33F2N9O2/c1-25-24-56-13-11-28(17-40(56)53-25)44-35(9-6-31(21-49)55-44)39-23-52-42(58-39)19-45(47)18-36(45)32-10-12-50-37-16-27(3-7-33(32)37)43-34(8-5-30(20-48)54-43)38-22-51-41(57-38)15-26-2-4-29(46)14-26/h3,5-13,16-17,22-24,26,29,36H,2,4,14-15,18-19H2,1H3/t26-,29+,36?,45?/m1/s1
InChIKeyIZHVXKBSOFJJEW-MOEVHKTMSA-N
XLogP9.49
TPSA155.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.82
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-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-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137394195) is 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC4(F)CC4c4ccnc5cc(-c6nc(C#N)ccc6-c6cnc(C[C@@H]7CC[C@H](F)C7)o6)ccc45)o3)cc2n1.
What is the InChIKey of 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is IZHVXKBSOFJJEW-MOEVHKTMSA-N. The full InChI is InChI=1S/C45H33F2N9O2/c1-25-24-56-13-11-28(17-40(56)53-25)44-35(9-6-31(21-49)55-44)39-23-52-42(58-39)19-45(47)18-36(45)32-10-12-50-37-16-27(3-7-33(32)37)43-34(8-5-30(20-48)54-43)38-22-51-41(57-38)15-26-2-4-29(46)14-26/h3,5-13,16-17,22-24,26,29,36H,2,4,14-15,18-19H2,1H3/t26-,29+,36?,45?/m1/s1.
What are the key properties of 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 769.82 g/mol, XLogP of 9.49, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[5-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]-2-fluorocyclopropyl]quinolin-7-yl]-5-[2-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137394195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).