2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine

C19H21N5O2 — CID 46225049

IUPAC2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1
InChIInChI=1S/C19H21N5O2/c1-14-21-22-19(24(14)15-8-9-18(25-2)20-12-15)23-11-10-17(13-23)26-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyWVFYHTPKCKLCDM-QGZVFWFLSA-N
MW351.41 g/mol
LogP2.64
Rot. Bonds5

About 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 46225049) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
PubChem CID46225049
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1
InChIInChI=1S/C19H21N5O2/c1-14-21-22-19(24(14)15-8-9-18(25-2)20-12-15)23-11-10-17(13-23)26-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyWVFYHTPKCKLCDM-QGZVFWFLSA-N
XLogP2.64
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine with MolForge

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Related Compounds

Cligosiban
CID 11683187
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341234
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine
CID 44341256
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine
CID 44341428
2-Hexyloxy-5-imidazol-1-yl-pyridine
CID 44341439
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706867
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
2-[4-[4-(4-Methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11337030

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine (CID 46225049) is 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1.
What is the InChIKey of 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is WVFYHTPKCKLCDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-21-22-19(24(14)15-8-9-18(25-2)20-12-15)23-11-10-17(13-23)26-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 351.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methyl-5-[(3R)-3-phenoxypyrrolidin-1-yl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 46225049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).