2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine

C24H26N8O2 — CID 23731400

IUPAC2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(-c6ccccn6)nn5)O4)O3)nn2)nc1
InChIInChI=1S/C24H26N8O2/c1-3-11-25-19(5-1)21-15-31(29-27-21)13-17-7-9-23(33-17)24-10-8-18(34-24)14-32-16-22(28-30-32)20-6-2-4-12-26-20/h1-6,11-12,15-18,23-24H,7-10,13-14H2/t17-,18-,23+,24+/m1/s1
InChIKeyJGMDDKSKWFDMFY-LFVIRAHLSA-N
MW458.53 g/mol
LogP2.79
Rot. Bonds7

About 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine

2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine (PubChem CID 23731400) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
PubChem CID23731400
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(-c6ccccn6)nn5)O4)O3)nn2)nc1
InChIInChI=1S/C24H26N8O2/c1-3-11-25-19(5-1)21-15-31(29-27-21)13-17-7-9-23(33-17)24-10-8-18(34-24)14-32-16-22(28-30-32)20-6-2-4-12-26-20/h1-6,11-12,15-18,23-24H,7-10,13-14H2/t17-,18-,23+,24+/m1/s1
InChIKeyJGMDDKSKWFDMFY-LFVIRAHLSA-N
XLogP2.79
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine (CID 23731400) is 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine is c1ccc(-c2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(-c6ccccn6)nn5)O4)O3)nn2)nc1.
What is the InChIKey of 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine?
The InChIKey is JGMDDKSKWFDMFY-LFVIRAHLSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-3-11-25-19(5-1)21-15-31(29-27-21)13-17-7-9-23(33-17)24-10-8-18(34-24)14-32-16-22(28-30-32)20-6-2-4-12-26-20/h1-6,11-12,15-18,23-24H,7-10,13-14H2/t17-,18-,23+,24+/m1/s1.
What are the key properties of 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine?
2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine has a molecular weight of 458.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R,5S)-5-[(2S,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]oxolan-2-yl]methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 23731400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).