5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile

C16H11F4N3O2 — CID 122541534

IUPAC5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
SMILESCC(F)(F)c1ncc(Oc2cncc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F
InChIInChI=1S/C16H11F4N3O2/c1-16(19,20)15-11-10(12(17)13(18)14(11)24)9(6-23-15)25-8-2-7(3-21)4-22-5-8/h2,4-6,12-14,24H,1H3/t12-,13-,14+/m1/s1
InChIKeyZETVZBUMCNKUMQ-MCIONIFRSA-N
MW353.28 g/mol
LogP3.65
Rot. Bonds3

About 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile

5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile (PubChem CID 122541534) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
PubChem CID122541534
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
SMILESCC(F)(F)c1ncc(Oc2cncc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F
InChIInChI=1S/C16H11F4N3O2/c1-16(19,20)15-11-10(12(17)13(18)14(11)24)9(6-23-15)25-8-2-7(3-21)4-22-5-8/h2,4-6,12-14,24H,1H3/t12-,13-,14+/m1/s1
InChIKeyZETVZBUMCNKUMQ-MCIONIFRSA-N
XLogP3.65
TPSA79.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile (CID 122541534) is 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile is CC(F)(F)c1ncc(Oc2cncc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F.
What is the InChIKey of 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is ZETVZBUMCNKUMQ-MCIONIFRSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c1-16(19,20)15-11-10(12(17)13(18)14(11)24)9(6-23-15)25-8-2-7(3-21)4-22-5-8/h2,4-6,12-14,24H,1H3/t12-,13-,14+/m1/s1.
What are the key properties of 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 353.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5R,6S,7S)-1-(1,1-difluoroethyl)-5,6-difluoro-7-hydroxy-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 122541534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).